SCHEMBL2224496

SCHEMBL2224496

O=C(NC1CCCCC1)c1cc(Cc2ccc(Cl)nc2)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
CHRM1 P11229 8/20 0.54
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL6893880 0.99 CHRM1 (0.54) GAAKMT2ACHRM1THRBSMN1; SMN2
SCHEMBL2275591 0.90 CHRM1 (0.53) GAAKMT2ACHRM1
SCHEMBL12803237 0.89 CHRM1 (0.53) GAAKMT2ACHRM1
SCHEMBL6892450 0.88 CHRM1 (0.54) GAAKMT2ACHRM1SMN1; SMN2KDM4E
SCHEMBL6892258 0.88 GAA (0.56) GAAKMT2ATHRBSMN1; SMN2KDM4E
SCHEMBL2221937 0.88 CHRM1 (0.70) CHRM1KCNH2
SCHEMBL6891025 0.88 CHRM1 (0.70) CHRM1KCNH2
SCHEMBL12802941 0.88 CHRM1 (0.70) CHRM1KCNH2
SCHEMBL2223684 0.88 CHRM1 (0.70) CHRM1KCNH2
SCHEMBL2223955 0.88 CHRM1 (0.70) CHRM1KCNH2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512243-B1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-06 EP claimed
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-03-17 US claimed
US-9199939-B2 Quinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-12-01 US claimed
EP-2512243-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP claimed
US-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 US claimed
CN-102651970-A Quinoline amide m1 receptor positive allosteric modulators MERCK SHARP & DOHME 2012-08-29 CN claimed
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
EP-2512243-B1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
EP-2512243-B1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-03-17 US disclosed
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-03-17 US disclosed
US-9199939-B2 Quinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-12-01 US disclosed
US-9199939-B2 Quinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-12-01 US disclosed
EP-2512243-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
US-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
US-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
CN-102651970-A Quinoline amide m1 receptor positive allosteric modulators MERCK SHARP & DOHME 2012-08-29 CN disclosed
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (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-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 GAA 2300/4885KMT2A 1127/4885CHRM1 1/4885
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 GAA 1887/4885KMT2A 1151/4885CHRM1 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.