SCHEMBL17670547

SCHEMBL17670547

Cn1cc2c(-c3cc(F)c(Cc4cccnc4)c(F)c3)cccc2n1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 0.58

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
SCHEMBL18181576 0.79 CHRM1 (0.57) CHRM1
SCHEMBL21875465 0.79 CHRM1 (0.57) CHRM1
SCHEMBL16221887 0.79 CHRM1 (0.57) CHRM1
SCHEMBL21875397 0.79 CHRM1 (0.57) CHRM1
SCHEMBL29304484 0.76 CHRM1 (0.54) CHRM1
SCHEMBL29304479 0.76 CHRM1 (0.53) CHRM1
SCHEMBL16221849 0.74 CHRM1 (0.64) CHRM1
SCHEMBL16221953 0.73 CHRM1 (0.59) CHRM1
SCHEMBL29303220 0.73 CHRM1 (0.50) CHRM1
SCHEMBL16221929 0.72 CHRM1 (0.58) 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-20160102090-A1 SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY (US) 2016-04-14 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-20160102090-A1 SUBSTITUTED 3-BENZYLQUINOXALIN-4(3H)-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM4 CHRM1 1/4885

“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.