Sugi Predict

Sugi Predict / Compounds / SCHEMBL317403

SCHEMBL317403

SCHEMBL317403

NCc1cccc(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.47
▸ MBOAT4 Q96T53 1/20 0.43
▸ PNMT P11086 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ LOXL2 Q9Y4K0 3/20 0.40
▸ MAOB P27338 1/20 0.39
▸ LOX P28300 2/20 0.39
▸ NOTUM Q6P988 2/20 0.39
▸ ADRB1 P08588 1/20 0.38
▸ IDH1 O75874 2/20 0.38
▸ IDH2 P48735 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ NR3C1 P04150 1/20 0.36

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
Hydrochloric Acid SCHEMBL15647024 0.98 P2RX7 (0.46) P2RX7MBOAT4PNMTIRAK4LOXL2
Hydrochloric Acid SCHEMBL29484145 0.98 P2RX7 (0.46) P2RX7MBOAT4PNMTIRAK4LOXL2
Hydrochloric Acid SCHEMBL30630640 0.98 P2RX7 (0.46) P2RX7MBOAT4PNMTIRAK4LOXL2
Hydrochloric Acid SCHEMBL23572914 0.98 P2RX7 (0.46) P2RX7MBOAT4PNMTIRAK4LOXL2
SCHEMBL25402832 0.84 P2RX7 (0.45) P2RX7MBOAT4PNMTMAOBNOTUM
SCHEMBL18266483 0.84 MBOAT4 (0.35) P2RX7MBOAT4PNMTIRAK4LOXL2
SCHEMBL17778291 0.84 P2RX7 (0.34) P2RX7MBOAT4PNMTIRAK4LOXL2
SCHEMBL7049376 0.79 P2RX7 (0.47) P2RX7MBOAT4MAOBNOTUMADRB1
SCHEMBL129240 0.79 P2RX7 (0.43) P2RX7MBOAT4MAOBNOTUMADRB1
SCHEMBL24442229 0.79 P2RX7 (0.43) P2RX7MBOAT4MAOBNOTUMADRB1

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 101 patents — showing the first 20. 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
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
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — 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
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — WO 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
US-12540134-B2 Inhibitors of adrenoreceptor ADRAC2 BAYER AKTIENGESELLSCHAFT (DE) 2026-02-03 — — US disclosed
US-20250136594-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-01 — — US disclosed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 — — WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 — — 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 (7 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-20250136594-A1 COMPOUNDS AND METHODS OF USE CNKSR1, UGT1A1, REV1 P2RX7 446/4885MBOAT4 3085/4885PNMT 2979/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 P2RX7 122/4885MBOAT4 1276/4885PNMT 1619/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 P2RX7 1117/4885MBOAT4 4482/4885PNMT 2501/4885
US-12540134-B2 Inhibitors of adrenoreceptor ADRAC2 ADRA2C, ADRB3, ADRB2 P2RX7 901/4885MBOAT4 1036/4885PNMT 559/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR P2RX7 778/4885MBOAT4 983/4885PNMT 1251/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 P2RX7 3795/4885MBOAT4 2357/4885PNMT 3372/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR P2RX7 774/4885MBOAT4 833/4885PNMT 1166/4885

“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.