SCHEMBL13628989

SCHEMBL13628989

CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(I)c(-c3ccccn3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL13628991 0.90 GRM4 (0.48) GRM4
SCHEMBL30572129 0.87 ALB (0.58) GRM4
SCHEMBL1253711 0.87 ALB (0.58) GRM4
SCHEMBL12727144 0.85 TRPV1 (0.47) TRPV1
SCHEMBL2619783 0.85 ALB (0.47) GRM4TRPV1
SCHEMBL10287531 0.85 TRPV1 (0.45) GRM4TRPV1
SCHEMBL13628988 0.84 TRPV1 (0.54) GRM4TRPV1
SCHEMBL12727302 0.83 ALB (0.59) TRPV1ADORA3
SCHEMBL2619598 0.83 GRM4 (0.47) GRM4TRPV1
SCHEMBL12727187 0.82 MEN1 (0.56) GRM4

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-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 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-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GRM4 1839/4885TRPV1 4209/4885ADORA3 720/4885

“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.