SCHEMBL3989553

SCHEMBL3989553

NC(=O)[C@H](Cc1ccccc1)NC(=O)n1c(=O)n(CC2CCC(=O)N2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.47
CNR1 P21554 5/20 0.47
GPR142 Q7Z601 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR3A P46098 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL4381942 0.85 CNR2 (0.51) CNR2CNR1KMT2APOLBTMEM97
SCHEMBL4384385 0.84 CNR2 (0.50) CNR2CNR1POLB
SCHEMBL3989542 0.84 CNR2 (0.40) CNR2CNR1GPR142TMEM97SIGMAR1
SCHEMBL3995310 0.83 CNR2 (0.51) CNR2CNR1KMT2APOLBTMEM97
SCHEMBL3916177 0.83 CNR2 (0.58) CNR2CNR1
SCHEMBL3995447 0.76 CNR2 (0.52) CNR2CNR1
SCHEMBL3920939 0.75 CNR2 (0.44) CNR2CNR1KMT2APOLB
SCHEMBL19359517 0.74 TRHR (0.47)
SCHEMBL19359515 0.74 TRHR (0.47)
SCHEMBL3991569 0.72 CNR2 (0.44) CNR2CNR1GPR142

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US claimed
EP-2114897-A2 BENZIMIDAZOLONE DERIVATIVES Pfizer Products Inc. (US) 2009-11-11 EP claimed
WO-2008032164-A2 BENZIMIDAZOLONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-03-20 WO claimed
EP-2114897-A2 BENZIMIDAZOLONE DERIVATIVES Pfizer Products Inc. (US) 2009-11-11 EP disclosed
WO-2008032164-A2 BENZIMIDAZOLONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
WO-2008032164-A2 BENZIMIDAZOLONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-03-20 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-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES TRPV1, CNR1, CNR2 CNR2 3/4885CNR1 2/4885GPR142 147/4885

“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.