SCHEMBL6911995

SCHEMBL6911995

COc1cccc2c1c1nn(-c3ccccc3C)c(=O)c-1cn2Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.54
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
USP1 O94782 6/20 0.39
BUB1 O43683 1/20 0.38
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 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
SCHEMBL6911395 0.92 CHRM1 (0.58) CHRM1USP1PDE4APDE4BPDE4C
SCHEMBL11895223 0.91 CHRM1 (0.51) CHRM1HCRTR1HCRTR2USP1PDE4A
SCHEMBL6912041 0.88 CHRM1 (0.55) CHRM1USP1PDE4APDE4BPDE4C
SCHEMBL11895057 0.88 CHRM1 (0.55) CHRM1USP1PDE4APDE4BPDE4C
SCHEMBL11894733 0.88 CHRM1 (0.48) CHRM1HCRTR1HCRTR2USP1PDE4A
SCHEMBL11894839 0.86 CHRM1 (0.41) CHRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL11955177 0.85 CHRM1 (0.73) CHRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL18222108 0.85 CHRM1 (0.51) CHRM1USP1PDE4APDE4BPDE4C
SCHEMBL11895369 0.82 CHRM1 (0.38) CHRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL18222119 0.82 CHRM1 (0.55) CHRM1USP1PDE4APDE4BPDE4C

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2490692-B1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-16 EP claimed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US claimed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US claimed
EP-2490692-B1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-16 EP disclosed
EP-2490692-B1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-16 EP disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
WO-2011049731-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 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-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 CHRM1 1/4885HCRTR1 172/4885HCRTR2 199/4885

“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.