SCHEMBL4635904

SCHEMBL4635904

CC1(N2CCC(n3c(=O)[nH]c4ccc(OC(F)(F)F)cc43)CC2)CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.53
CHRM2 P08172 6/20 0.48
CHRM4 P08173 6/20 0.48
CHRM1 P11229 6/20 0.48
CHRM5 P08912 5/20 0.48
CHRM3 P20309 5/20 0.48
KCNH2 Q12809 2/20 0.48
CTSS P25774 1/20 0.40
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
PLD1 Q13393 1/20 0.38
PGR P06401 2/20 0.38

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
Hydrochloric Acid SCHEMBL4637236 0.99 OPRM1 (0.52) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4637209 0.86 OPRM1 (0.49) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4934302 0.83 CHRM1 (0.67) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4636637 0.83 CHRM1 (0.69) OPRM1CHRM2CHRM4CHRM1CHRM5
Hydrochloric Acid SCHEMBL4636170 0.82 CHRM1 (0.66) OPRM1CHRM2CHRM4CHRM1CHRM5
Hydrochloric Acid SCHEMBL4667492 0.82 CHRM1 (0.68) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4636059 0.81 CHRM1 (0.53) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4649440 0.79 CHRM1 (0.54) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4649085 0.79 CHRM2 (0.58) OPRM1CHRM2CHRM4CHRM1CHRM5
Hydrochloric Acid SCHEMBL4648065 0.78 CHRM1 (0.54) OPRM1CHRM2CHRM4CHRM1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US claimed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US claimed
EP-1937670-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT M1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-07-02 EP claimed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 WO claimed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 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-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor CHRM1, CHRM2, CHRM4 OPRM1 11/4885CHRM2 2/4885CHRM4 3/4885

“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.