SCHEMBL4244293

SCHEMBL4244293

Cc1ccc(CCC2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
SLC6A4 P31645 3/20 0.45
SLC6A2 P23975 1/20 0.45
KHK P50053 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
GBA1 P04062 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
NMT1 P30419 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM1A O60341 1/20 0.40

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
SCHEMBL11399497 0.89 NMT1 (0.51) MAOBSLC6A4SLC6A2HRH3GBA1
SCHEMBL23395111 0.84 NMT1 (0.47) MAOBSLC6A4SLC6A2HRH3ITGB3
SCHEMBL18892649 0.82 EP300 (0.45) SLC6A4KHKHRH3ITGB3ITGA2B
SCHEMBL1199744 0.81 MAOB (0.53) MAOBSLC6A4SLC6A2HRH3GBA1
SCHEMBL9562401 0.81 MAOB (0.53) MAOBSLC6A4HRH3GBA1ITGB3
SCHEMBL27410823 0.81 GFER (0.46) MAOBSLC6A4KHKHRH3GBA1
SCHEMBL20015576 0.81 HRH3 (0.44) SLC6A4KHKHRH3GBA1ITGB3
SCHEMBL8307801 0.81 MAOB (0.53) MAOBSLC6A4SLC6A2HRH3GBA1
SCHEMBL2241250 0.81 GBA1 (0.66) MAOBSLC6A4GBA1KDM1A
SCHEMBL4245166 0.81 GBA1 (0.66) SLC6A4SLC6A2HRH3GBA1TP53

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018055096-A1 DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITY OF LJUBLJANA (SI) 2018-03-29 WO disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
WO-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 WO disclosed
US-20090170901-A1 Benzoyl Urea Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-07-02 US disclosed
CN-1989119-A New benzoyl urea derivatives RICHTER GEDEON VEGYESZET (HU) 2007-06-27 CN disclosed
EP-1771429-A1 NEW BENZOYL UREA DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-11 EP disclosed
WO-2006010966-A1 NEW BENZOYL UREA DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO disclosed
EP-0604494-A1 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-06 EP 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 (3 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 MAOB 366/4885SLC6A4 1511/4885SLC6A2 1219/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL MAOB 333/4885SLC6A4 1589/4885SLC6A2 1227/4885
US-20090170901-A1 Benzoyl Urea Derivatives OPRM1, GRIN2C, GRIN3A MAOB 399/4885SLC6A4 985/4885SLC6A2 2087/4885

“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.