SCHEMBL601876

SCHEMBL601876

COC1CCC(C)(N2CCC(n3c(=O)[nH]c4cc(C)c(C)cc43)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 14/20 0.65
CHRM5 P08912 14/20 0.65
CHRM1 P11229 14/20 0.65
CHRM3 P20309 13/20 0.65
CHRM2 P08172 12/20 0.65
KCNH2 Q12809 2/20 0.46
HSD11B1 P28845 4/20 0.40
OPRM1 P35372 2/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 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
SCHEMBL601875 1.00 CHRM4 (0.65) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL603262 0.99 CHRM4 (0.64) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL603263 0.99 CHRM4 (0.64) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL600553 0.92 CHRM1 (0.78) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL600552 0.92 CHRM1 (0.78) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL603760 0.91 CHRM1 (0.76) CHRM4CHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL603759 0.91 CHRM1 (0.76) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL14235838 0.89 CHRM2 (0.62) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL601748 0.88 CHRM4 (0.73) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL601747 0.88 CHRM4 (0.73) CHRM4CHRM5CHRM1CHRM3CHRM2

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
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP claimed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US claimed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US claimed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US claimed
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 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 (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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM4 3/4885CHRM5 4/4885CHRM1 1/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM4 3/4885CHRM5 4/4885CHRM1 1/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CHRM4 4/4885CHRM5 3/4885CHRM1 1/4885

“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.