SCHEMBL2108026

SCHEMBL2108026

COc1cc(Cl)c(CN2C(=O)c3ccccc3C2=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
CASP3 P42574 1/20 0.46
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
GRM5 P41594 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL16100129 0.85 RXFP1 (0.61) RXFP1GAAKDM4ERECQLTSHR
SCHEMBL6939477 0.78 CASP3 (0.58) RXFP1KDM4ECASP3HPGDLMNA
SCHEMBL6940053 0.78 CASP3 (0.58) RXFP1KDM4ECASP3HPGDLMNA
SCHEMBL18669183 0.76 GAA (0.78) RXFP1GAAKDM4ERECQLTSHR
SCHEMBL10926180 0.76 CASP3 (0.56) RXFP1KMT2ACASP3HPGDMAPK1
SCHEMBL13077677 0.76 RPS6KA2 (0.50) RXFP1GAARECQLTSHRMEN1
SCHEMBL3024201 0.75 CASP3 (0.58) RXFP1KDM4ETSHRCYP1A2CYP3A4
SCHEMBL22400685 0.73 RXFP1 (0.61) RXFP1GAAKDM4ERECQLTSHR
SCHEMBL3124223 0.73 CASP3 (0.56) RXFP1KDM4EMEN1KMT2ACASP3
SCHEMBL9387548 0.73 RAB9A (0.60) RXFP1GAAKDM4ERECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP disclosed
EP-2222631-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer Inc. (US) 2010-09-01 EP disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
WO-2008050199-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-02 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 (1 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-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS TRPV1, P2RY1, TRPV2 RXFP1 454/4885GAA 2617/4885KDM4E 3107/4885

“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.