SCHEMBL602513

SCHEMBL602513

COC1CCC(C)(N2CCC(Nc3ccc(Cl)cc3N)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
BACE1 P56817 11/20 0.39
CCR5 P51681 1/20 0.39
DPP4 P27487 1/20 0.37
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PIM1 P11309 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL602512 1.00 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL605369 0.92 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL605368 0.92 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL602730 0.88 CHRM4 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL602731 0.88 CHRM4 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14235298 0.87 CCR5 (0.41) CCR5KDM4EMEN1ALDH1A1KMT2A
SCHEMBL600954 0.82 MAPK1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL600953 0.82 MAPK1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL605815 0.82 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL606918 0.82 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3

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
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
EP-1996188-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-03 EP disclosed
WO-2007107566-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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM2 2/4885CHRM4 3/4885CHRM5 4/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM2 2/4885CHRM4 3/4885CHRM5 4/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CHRM2 2/4885CHRM4 4/4885CHRM5 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.