SCHEMBL2223326

SCHEMBL2223326

COc1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@H]3O)nc3ccccc23)cn1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.56
ADAM17 P78536 4/20 0.51
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
MMP10 P09238 1/20 0.51
PDE2A O00408 1/20 0.49
PDE11A Q9HCR9 1/20 0.49

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
SCHEMBL2223323 1.00 CHRM1 (0.56) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL2363404 1.00 CHRM1 (0.56) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL2222670 0.93 CHRM1 (0.56) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL2222077 0.93 CHRM1 (0.55) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL2221980 0.90 CHRM1 (0.54) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL2221983 0.90 CHRM1 (0.54) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL12803424 0.90 CHRM1 (0.54) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL6890514 0.90 ADAM17 (0.49) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL2351738 0.89 CHRM1 (0.55) CHRM1ADAM17MMP3MMP7MMP10
SCHEMBL21873509 0.89 CHRM1 (0.48) CHRM1PDE2APDE11A

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-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-03-17 US claimed
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
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
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 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.