SCHEMBL5400539

SCHEMBL5400539

CCc1cccc2c1[nH]c(=O)n2C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.54
OPRM1 P35372 8/20 0.51
CHRM1 P11229 5/20 0.47
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
OPRL1 P41146 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5391610 0.91 DAO (0.56) DAOOPRM1CHRM1CYP2D6CYP2C9
SCHEMBL28507977 0.86 OPRM1 (0.48) DAOOPRM1CHRM1OPRL1CHRM2
SCHEMBL3243793 0.83 HSD11B1 (0.53) DAOOPRM1CHRM1CHRM2CHRM4
SCHEMBL29198184 0.83 OPRM1 (0.44) DAOOPRM1CHRM1CHRM2CHRM4
SCHEMBL5393921 0.82 DAO (0.57) DAOOPRM1CHRM1CYP2D6CYP2C9
SCHEMBL3243652 0.81 OPRM1 (0.62) OPRM1CHRM1OPRL1DRD2HTR2C
SCHEMBL4306275 0.81 CHRM1 (0.57) DAOOPRM1CHRM1OPRL1DRD2
SCHEMBL28505346 0.81 OPRM1 (0.47) OPRM1CHRM1OPRL1CHRM2CHRM4
SCHEMBL30870578 0.81 OPRM1 (0.44) OPRM1CHRM1OPRL1CHRM2CHRM4
SCHEMBL30825657 0.81 OPRM1 (0.46) OPRM1CHRM1OPRL1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 US disclosed
US-20040147506-A1 Benzimidazolone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 US disclosed
EP-1386920-A1 BENZIMIDAZOLONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-02-04 EP 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-20040147506-A1 Benzimidazolone derivatives HRH2, CCKAR, HRH4 DAO 2700/4885OPRM1 55/4885CHRM1 4/4885

“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.