SCHEMBL6889544

SCHEMBL6889544

COc1cc(Cc2cc(C(=O)O)nc3c(F)cccc23)ccn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
IGFBP5 P24593 4/20 0.41
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
IGFBP3 P17936 1/20 0.38
ALOX15 P16050 1/20 0.37
MMP13 P45452 1/20 0.37
PLA2G7 Q13093 1/20 0.36
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
TACR3 P29371 1/20 0.36
PDE10A Q9Y233 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL2221819 0.91 GRM2 (0.42) GRM2ADORA2AADORA1LOXLOXL2
SCHEMBL2224850 0.85 GRM2 (0.46) GRM2IGFBP5ADORA2AIGFBP3ALOX15
SCHEMBL12958877 0.85 ALOX15 (0.53) GRM2IGFBP5LOXLOXL2IGFBP3
SCHEMBL6888507 0.82 ADORA2A (0.39) GRM2IGFBP5ADORA2AADORA1
SCHEMBL17296541 0.81 CHRM1 (0.50)
SCHEMBL17583090 0.80 GRM2 (0.46) GRM2ADORA2AADORA1ALOX15DHODH
SCHEMBL27886352 0.79 LOX (0.36) GRM2ADORA2AADORA1LOXLOXL2
SCHEMBL6891498 0.78 CHRM1 (0.50)
SCHEMBL30744928 0.75 GRM2 (0.43) GRM2IGFBP5ADORA2AADORA1IGFBP3
SCHEMBL2225368 0.74 GRM2 (0.43) GRM2ALOX15PLA2G7

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 11 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
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-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
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 123/4885IGFBP5 3995/4885ADORA2A 48/4885
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 GRM2 124/4885IGFBP5 4146/4885ADORA2A 56/4885

“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.