SCHEMBL9931952

SCHEMBL9931952

Cn1c(-c2cc(N3CCC(N4CCNC(=O)CC4)CC3)ncc2Cl)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
SMO Q99835 16/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL9968360 0.90 SMO (0.38) SMO
SCHEMBL9933504 0.90 KDM4E (0.41) SMOKDM4ENPC1RAB9A
SCHEMBL9933103 0.85 ACVR1 (0.43) SMO
SCHEMBL9968379 0.84 SMO (0.40) SMOKDM4E
SCHEMBL9932916 0.84 SMO (0.40) SMOKDM4ENPC1RAB9A
SCHEMBL9932735 0.83 SMO (0.49) OPRM1OPRD1OPRK1OGFRL1SMO
SCHEMBL9931663 0.83 KDM4E (0.42) OPRM1OPRD1OPRK1OGFRL1SMO
SCHEMBL9968366 0.83 SMO (0.39) SMOKDM4ENPC1RAB9A
SCHEMBL9933101 0.81 CYP2D6 (0.45) SMOKDM4ENPC1RAB9A
SCHEMBL9968324 0.80 MEN1 (0.44) SMOKDM4E

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 OPRM1 4174/4885OPRD1 3216/4885OPRK1 3772/4885

“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.