SCHEMBL606455

SCHEMBL606455

CCOC1CCC(N2CCC(n3c(=O)[nH]c4ccc(OC)cc43)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.53
CHRM2 P08172 6/20 0.53
CHRM4 P08173 6/20 0.53
CHRM3 P20309 5/20 0.53
CHRM5 P08912 4/20 0.53
KCNH2 Q12809 1/20 0.53
OPRM1 P35372 8/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 1/20 0.51
ALDH1A1 P00352 1/20 0.48
HSD11B1 P28845 1/20 0.48
TNKS O95271 1/20 0.47
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
OPRL1 P41146 2/20 0.46
ADRA1D P25100 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL606454 1.00 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL607529 0.99 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL607530 0.99 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL604197 0.88 OPRM1 (0.54) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL605786 0.88 OPRM1 (0.54) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL604196 0.88 OPRM1 (0.54) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4444156 0.88 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4442605 0.88 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL607449 0.87 CHRM1 (0.71) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL608090 0.87 CHRM1 (0.71) CHRM1CHRM2CHRM4CHRM3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 EP claimed
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-13 US claimed
US-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US claimed
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-11-04 US claimed
EP-2004182-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-24 EP claimed
WO-2007107565-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 WO claimed
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 EP disclosed
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-13 US disclosed
US-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
EP-2004182-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
WO-2007107565-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 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 (3 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-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM1 1/4885CHRM2 2/4885CHRM4 3/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM1 1/4885CHRM2 2/4885CHRM4 3/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CHRM1 1/4885CHRM2 2/4885CHRM4 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.