SCHEMBL9931087

SCHEMBL9931087

COC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1N=CN(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.44
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
FAAH O00519 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
SCHEMBL6911869 1.00 CHRM1 (0.44) CHRM1KMT2AKCNH2KDM4ELMNA
SCHEMBL2402118 0.83 ALDH1A1 (0.42) KMT2ALMNACYP11B1CYP11B2NPC1
SCHEMBL2402123 0.83 ALDH1A1 (0.42) KMT2ALMNACYP11B1CYP11B2NPC1
SCHEMBL12065096 0.81 CHRM1 (0.50) CHRM1KMT2AKCNH2KDM4ELMNA
SCHEMBL6912150 0.80 CHRM1 (0.49) CHRM1KMT2AKCNH2KDM4ELMNA
SCHEMBL9978637 0.80 CHRM1 (0.49) CHRM1KMT2AKCNH2KDM4ELMNA
SCHEMBL16937247 0.80 CHRM1 (0.61) CHRM1KMT2AKCNH2KDM4ELMNA
SCHEMBL2400422 0.73 PKM (0.39) KMT2AKDM4ELMNAALDH1A1MAPT
SCHEMBL1437273 0.73 PKM (0.39) KMT2AKDM4ELMNAALDH1A1MAPT
SCHEMBL19128406 0.73 KMT2A (0.43) CHRM1KMT2AKCNH2KDM4ELMNA

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
US-9260418-B2 Pyranyl aryl methyl benzoquinolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2016-02-16 US disclosed
EP-2915812-A1 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators Merck Sharp & Dohme Corp. (US) 2015-09-09 EP disclosed
EP-2473048-B1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-03-25 EP disclosed
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME (US) 2014-12-11 US disclosed
US-8846702-B2 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-09-30 US disclosed
US-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP (US) 2012-06-21 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 (2 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-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, OPRL1 CHRM1 1/4885KMT2A 1146/4885KCNH2 624/4885
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, CHRM2 CHRM1 1/4885KMT2A 997/4885KCNH2 640/4885

“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.