SCHEMBL601263

SCHEMBL601263

CCCOC1CCC(C)(N2CCC(Nc3cc(C)c(F)cc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.54
CHRM5 P08912 8/20 0.54
CHRM1 P11229 8/20 0.54
CHRM3 P20309 8/20 0.54
CHRM2 P08172 7/20 0.54
MAPT P10636 6/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 3/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
GPR174 Q9BXC1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MEN1 O00255 2/20 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
SCHEMBL601262 1.00 CHRM4 (0.54) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL602569 1.00 CHRM4 (0.54) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL600515 0.94 CHRM4 (0.51) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL600514 0.94 CHRM4 (0.51) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL602182 0.89 CHRM2 (0.43) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL600555 0.89 CHRM2 (0.43) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL600554 0.89 CHRM2 (0.43) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL602902 0.89 CHRM2 (0.40) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL602903 0.89 CHRM2 (0.40) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL10190321 0.87 CHRM4 (0.43) 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 disclosed
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-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-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-11-04 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 (6 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 CHRM4 3/4885CHRM5 4/4885CHRM1 1/4885
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-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM4 3/4885CHRM5 4/4885CHRM1 1/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CHRM4 4/4885CHRM5 3/4885CHRM1 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.