SCHEMBL9932735

SCHEMBL9932735

Cn1c(-c2cc(N3CCC(N4CCC(O)CC4)CC3)ncc2Cl)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 12/20 0.49
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
OGFRL1 Q5TC84 3/20 0.44
CCNT1 O60563 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 1/20 0.38
PTPN11 Q06124 1/20 0.37

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
SCHEMBL9932138 0.94 SMO (0.54) SMOCCNT1MEN1KMT2APDE10A
SCHEMBL9968379 0.91 SMO (0.40) SMOMEN1KMT2A
SCHEMBL9933103 0.90 ACVR1 (0.43) SMOMEN1KMT2A
SCHEMBL9931559 0.88 SMO (0.47) SMOCCNT1MEN1KMT2APDE10A
SCHEMBL9932181 0.88 SMO (0.47) SMOCCNT1MEN1KMT2APDE10A
SCHEMBL9932551 0.86 SMO (0.41) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9968324 0.85 MEN1 (0.44) SMOMEN1KMT2A
SCHEMBL9931667 0.85 SMO (0.40) SMOOPRM1MEN1KMT2A
SCHEMBL9932736 0.84 SMO (0.45) SMOCCNT1MEN1KMT2APDE10A
SCHEMBL12841515 0.84 MKNK1 (0.46) SMOCCNT1MEN1KMT2APTPN11

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.