SCHEMBL9932490

SCHEMBL9932490

Cc1ccc(N2CCC(NS(C)(=O)=O)CC2)nc1-c1nc2ccccc2n1C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 15/20 0.56
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
OGFRL1 Q5TC84 2/20 0.46
KCNH2 Q12809 1/20 0.44
PDE10A Q9Y233 1/20 0.44
MAPK8 P45983 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
SCHEMBL9932469 0.90 SMO (0.63) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9933104 0.86 PDE10A (0.41) SMOPDE10A
SCHEMBL9968436 0.81 SMO (0.55) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9968315 0.80 SMO (0.58) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9932472 0.79 SMO (0.66) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL1533867 0.78 SMO (0.62) SMOKCNH2
SCHEMBL9971197 0.78 SMO (0.51) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9968432 0.78 SMO (0.56) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9932108 0.77 SMO (0.63) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9931165 0.74 CKS1B (0.50) SMOOPRM1OPRD1OPRK1OGFRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 SMO 1/4885OPRM1 4174/4885OPRD1 3216/4885

“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.