SCHEMBL4637209

SCHEMBL4637209

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.49
CHRM2 P08172 4/20 0.44
CHRM4 P08173 4/20 0.44
CHRM1 P11229 4/20 0.44
CHRM5 P08912 3/20 0.44
CHRM3 P20309 3/20 0.44
KCNH2 Q12809 2/20 0.44
PGR P06401 7/20 0.38
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CTSS P25774 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL4635904 0.86 OPRM1 (0.53) OPRM1CHRM2CHRM4CHRM1CHRM5
Hydrochloric Acid SCHEMBL4637236 0.85 OPRM1 (0.52) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4635492 0.83 CHRM1 (0.64) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL8247886 0.82 CHRM1 (0.48) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4934302 0.81 CHRM1 (0.67) OPRM1CHRM2CHRM4CHRM1CHRM5
Hydrochloric Acid SCHEMBL4636170 0.80 CHRM1 (0.66) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4646442 0.79 CHRM1 (0.50) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4646714 0.79 CHRM1 (0.41) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4647787 0.79 CHRM1 (0.41) OPRM1CHRM2CHRM4CHRM1CHRM5
SCHEMBL4648728 0.78 CHRM1 (0.66) 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 6 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 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
EP-1937670-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT M1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 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-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.