SCHEMBL5385477

SCHEMBL5385477

CCOc1ccc2[nH]c(=O)n(C3CCNCC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.53
ALDH1A1 P00352 1/20 0.50
CHRM1 P11229 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM3 P20309 2/20 0.46
KCNH2 Q12809 2/20 0.46
MAPT P10636 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PGR P06401 6/20 0.44
DRD2 P14416 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MAOB P27338 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL5382938 0.90 OPRM1 (0.53) OPRM1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL8883187 0.90 OPRM1 (0.54) OPRM1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL8882891 0.89 OPRM1 (0.53) OPRM1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL8885548 0.89 OPRM1 (0.53) OPRM1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL8884216 0.88 CHRM1 (0.60) OPRM1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL4307479 0.86 OPRM1 (0.51) OPRM1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL31285927 0.86 OPRM1 (0.51) OPRM1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL4669069 0.83 OPRM1 (0.54) OPRM1CHRM1CHRM2CHRM4CHRM5
SCHEMBL8884310 0.82 OPRM1 (0.52) OPRM1ALDH1A1CHRM1CHRM2CHRM4
SCHEMBL8885981 0.81 OPRM1 (0.47) OPRM1ALDH1A1CHRM1CHRM2CHRM4

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-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
US-3996362-A ANTIDEPRESSANTS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US 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 OPRM1 55/4885ALDH1A1 2060/4885CHRM1 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.