SCHEMBL317658

SCHEMBL317658

NCCc1cccnc1N

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.53
HRH1 P35367 1/20 0.47
TAAR1 Q96RJ0 8/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
HTR2A P28223 1/20 0.41
CHRNA7 P36544 1/20 0.41
DPP4 P27487 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TKT P29401 2/20 0.40
NAPRT Q6XQN6 1/20 0.39
LTA4H P09960 1/20 0.39
MAPK14 Q16539 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29680366 0.82
SCHEMBL318613 0.82
SCHEMBL2384178 0.81 BACE1 (0.51) BACE1NOS3NOS1NOS2KDM1A
SCHEMBL317901 0.81 BACE1 (0.51) BACE1NOS3NOS1NOS2KDM1A
SCHEMBL4618729 0.81 TKT (0.52) BACE1NOS3NOS1NOS2KDM1A
Hydrochloric Acid SCHEMBL14354440 0.80 NOS3 (0.46) BACE1NOS3NOS1NOS2DPP4
SCHEMBL28126688 0.78 HRH1 (0.47) HRH1TAAR1HTR2ACHRNA7DPP4
SCHEMBL11390568 0.78 HRH1 (0.42) BACE1HRH1TAAR1NOS3NOS1
SCHEMBL8049756 0.78 BACE1 (0.49) BACE1NOS3NOS1NOS2TKT
SCHEMBL6834581 0.78 BACE1 (0.49) BACE1NOS3NOS1NOS2KDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 CN claimed
CN-103396398-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-11-20 CN claimed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP claimed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP claimed
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 US claimed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 US claimed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO claimed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US claimed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP claimed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US claimed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US claimed
CN-101495464-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 CN claimed
CN-101405002-A Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-08 CN claimed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US claimed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US claimed
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 EP claimed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP claimed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
WO-2025151594-A1 FUSED AZINES AS RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS INC. (US) 2025-07-17 WO disclosed
WO-2025122956-A1 COMBINATION THERAPY VIVACE THERAPEUTICS, INC. (US) 2025-06-12 WO disclosed
WO-2025034563-A1 COMPOUNDS AND METHODS FOR TREATING CANCER VIVACE THERAPEUTICS, INC. (US) 2025-02-13 WO disclosed
WO-2024259169-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2024-12-19 WO disclosed
EP-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 EP disclosed
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP disclosed
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 CN disclosed
CN-103396398-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-11-20 CN disclosed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP disclosed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 US disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 US disclosed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP disclosed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
EP-1641423-B1 BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-03-17 EP disclosed
CN-101495464-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 CN disclosed
CN-101405002-A Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-08 CN disclosed
US-7476665-B2 Benzodiazepine CGRP receptor antagonists MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US disclosed
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 EP disclosed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP disclosed
EP-1641423-A4 BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-09-10 EP disclosed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO disclosed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO disclosed
US-20070111204-A1 Methods for detecting nucleic acid variations TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2007-05-17 US disclosed
CN-1842526-A Benzodiazepine CGRP receptor antagonists MERCK & CO INC (US) 2006-10-04 CN disclosed
US-20060135511-A1 Benzodiazepine cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-06-22 US disclosed
EP-1641423-A2 BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005013894-A2 BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2005-02-17 WO disclosed
EP-0528854-B1 FLUOROGENIC PEPTIDES AND THEIR USE IN THE DETERMINATION OF ENZYMATIC ACTIVITIES CARLSBERG AS (DK) 1994-12-28 EP disclosed
EP-0528854-A1 FLUOROGENIC PEPTIDES AND THEIR USE IN THE DETERMINATION OF ENZYMATIC ACTIVITIES. CARLSBERG AS (DK) 1993-03-03 EP disclosed
WO-1991016336-A1 FLUOROGENIC PEPTIDES AND THEIR USE IN THE DETERMINATION OF ENZYMATIC ACTIVITIES CARLSBERG A/S (DK) 1991-10-31 WO disclosed
WO-1991016336-A1 FLUOROGENIC PEPTIDES AND THEIR USE IN THE DETERMINATION OF ENZYMATIC ACTIVITIES CARLSBERG A/S (DK) 1991-10-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR BACE1 2940/4885HRH1 167/4885TAAR1 330/4885
US-20060135511-A1 Benzodiazepine cgrp receptor antagonists NPY1R, NPY2R, CCKBR BACE1 681/4885HRH1 76/4885TAAR1 198/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 BACE1 2220/4885HRH1 55/4885TAAR1 244/4885
US-20070111204-A1 Methods for detecting nucleic acid variations POLN, LIG4, NCL BACE1 4608/4885HRH1 4400/4885TAAR1 2383/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR BACE1 2940/4885HRH1 167/4885TAAR1 330/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR BACE1 4016/4885HRH1 198/4885TAAR1 507/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.