SCHEMBL607448

SCHEMBL607448

CCCOC1CCC(N2CCC(n3c(=O)[nH]c4ccc(CC)cc43)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.52
CHRM2 P08172 8/20 0.52
CHRM4 P08173 8/20 0.52
CHRM3 P20309 7/20 0.52
CHRM5 P08912 6/20 0.52
KCNH2 Q12809 2/20 0.52
DRD2 P14416 3/20 0.44
ADRA1D P25100 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
OPRM1 P35372 3/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL607447 1.00 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL607436 0.99 CHRM1 (0.51) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL607437 0.99 CHRM1 (0.51) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL603377 0.93 CHRM1 (0.54) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL603378 0.93 CHRM1 (0.54) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL608248 0.92 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
Hydrochloric Acid SCHEMBL608247 0.92 CHRM1 (0.53) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL607454 0.89 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL607445 0.89 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL607446 0.89 CHRM1 (0.67) 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 8 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-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
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-11-04 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-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.