SCHEMBL20100686

SCHEMBL20100686

CCN1Cc2ccc3nnc(C)n3c2C1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.54
SMN1; SMN2 Q16637 1/20 0.36
PBRM1 Q86U86 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 3/20 0.34
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33

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
SCHEMBL20100691 0.82 CHRM1 (0.43) CHRM1
SCHEMBL20100688 0.79 CHRM1 (0.40) CHRM1GRM5GRM1
SCHEMBL20100687 0.75 CHRM1 (0.34) CHRM1
SCHEMBL20100690 0.75 CHRM1 (0.33) CHRM1
SCHEMBL20100693 0.74 CHRM1 (0.54) CHRM1
SCHEMBL20100689 0.73 CHRM1 (0.56) CHRM1
SCHEMBL20100685 0.73 CHRM1 (0.38) CHRM1
SCHEMBL20100695 0.71 CHRM1 (0.65) CHRM1
SCHEMBL20100696 0.71 CHRM1 (0.55) CHRM1
SCHEMBL20100692 0.66 CHRM1 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118746-A1 SUBSTITUTED IMIDAZOPYRIDINE AND TRIAZOLOPYRIDINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2018-05-03 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 (1 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-20180118746-A1 SUBSTITUTED IMIDAZOPYRIDINE AND TRIAZOLOPYRIDINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM5, CHRM4 CHRM1 1/4885SMN1; SMN2 2138/4885PBRM1 1852/4885

“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.