SCHEMBL3989542

SCHEMBL3989542

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.40
CNR1 P21554 2/20 0.40
NAMPT P43490 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR3A P46098 1/20 0.37
HTR4 Q13639 1/20 0.37
GPR142 Q7Z601 1/20 0.36
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL4381933 0.84 CNR2 (0.42) CNR2CNR1NAMPTTMEM97SIGMAR1
SCHEMBL3989553 0.84 CNR2 (0.47) CNR2CNR1TMEM97SIGMAR1HTR3A
SCHEMBL4384382 0.83 CNR2 (0.43) CNR2CNR1NAMPTTMEM97SIGMAR1
SCHEMBL3995304 0.82 CNR2 (0.43) CNR2CNR1NAMPTTMEM97SIGMAR1
SCHEMBL3995445 0.75 GPR55 (0.46) CNR2CNR1TMEM97SIGMAR1
SCHEMBL3991564 0.72 CCKBR (0.39) CNR2CNR1NAMPTTMEM97SIGMAR1
SCHEMBL4377537 0.71 FEN1 (0.38) CNR2NAMPT
SCHEMBL26507782 0.69 ALPI (0.44) GPR142DPP4FAPDPP8DPP9
SCHEMBL4381942 0.69 CNR2 (0.51) CNR2CNR1TMEM97SIGMAR1HTR3A
SCHEMBL4384385 0.68 CNR2 (0.50) CNR2CNR1

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
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US disclosed
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

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 2/4885NAMPT 3952/4885

“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.