SCHEMBL955468

SCHEMBL955468

Cc1c[nH]c([C@@H]2CCCN2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
TAAR1 Q96RJ0 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
PARP1 P09874 2/20 0.36
CDC7 O00311 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ROCK1 Q13464 1/20 0.36
DBF4 Q9UBU7 1/20 0.36

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
SCHEMBL955469 1.00 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17929014 0.79 SCN10A (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL903360 0.79 SCN10A (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1813465 0.79 SCN10A (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1813463 0.79 SCN10A (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18845564 0.78 SCN10A (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18845566 0.78 TAAR1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL12098711 0.77 SCN10A (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL12098713 0.77 SCN10A (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1591999 0.77 SCN10A (0.37) 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-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 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 (1 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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 CHRM2 161/4885CHRM4 596/4885CHRM5 246/4885

“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.