SCHEMBL2224850

SCHEMBL2224850

COc1ccc(Cc2cc(C(=O)O)nc3c(F)cccc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.46
KCNH2 Q12809 1/20 0.42
IGFBP5 P24593 3/20 0.41
IGFBP3 P17936 1/20 0.38
ADORA2A P29274 2/20 0.38
ALOX15 P16050 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
ADORA2B P29275 1/20 0.37
CYP3A4 P08684 1/20 0.36
NAMPT P43490 1/20 0.36
GCK P35557 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
SCHEMBL6889544 0.85 GRM2 (0.43) GRM2IGFBP5IGFBP3ADORA2AALOX15
SCHEMBL6893464 0.85 GRM2 (0.45) GRM2IGFBP5TAS2R14CYP3A4
SCHEMBL12803363 0.85 ALOX15 (0.53) GRM2KCNH2IGFBP5IGFBP3ALOX15
SCHEMBL6890674 0.81 CHRM1 (0.49) GRM2KCNH2
SCHEMBL17296540 0.81 CHRM1 (0.56) KCNH2
SCHEMBL2352500 0.78 CHRM1 (0.54)
SCHEMBL17583090 0.78 GRM2 (0.46) GRM2ADORA2AALOX15CYP3A4
SCHEMBL17656781 0.78 CHRM1 (0.45) GRM2
SCHEMBL2221819 0.76 GRM2 (0.42) GRM2ADORA2A
SCHEMBL30744928 0.75 GRM2 (0.43) GRM2IGFBP5IGFBP3ADORA2AALOX15

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-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
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

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 GRM2 123/4885KCNH2 827/4885IGFBP5 3995/4885
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 GRM2 124/4885KCNH2 838/4885IGFBP5 4146/4885

“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.