SCHEMBL12802494

SCHEMBL12802494

CC(=O)O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(C(F)F)nc2)c2cccc(F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.43
ADAM17 P78536 3/20 0.39
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP10 P09238 1/20 0.37

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
SCHEMBL12802497 1.00 CHRM1 (0.43) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL6890030 0.89 CHRM1 (0.43) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL12803383 0.89 CHRM1 (0.43) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL12803022 0.88 CHRM1 (0.55) CHRM1
SCHEMBL17656783 0.85 CHRM1 (0.48) CHRM1
SCHEMBL17585464 0.82 CHRM1 (0.39) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL17585463 0.80 CHRM1 (0.48) CHRM1
SCHEMBL2224239 0.79 CHRM1 (0.56) CHRM1
SCHEMBL2352500 0.79 CHRM1 (0.54) CHRM1
SCHEMBL2225587 0.78 CHRM1 (0.57) CHRM1

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 8 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-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

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 CHRM1 1/4885ADAM17 4137/4885MMP3 4505/4885
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 CHRM1 1/4885ADAM17 4210/4885MMP3 4474/4885

“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.