SCHEMBL4445188

SCHEMBL4445188

CNC(=O)[C@@H](NC(=O)c1cccc(C(C)(C)C#N)c1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.46
CTSL P07711 4/20 0.44
CYP2C9 P11712 5/20 0.44

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
SCHEMBL4445193 1.00 BRAF (0.46) BRAFCTSLCYP2C9
SCHEMBL4448639 0.91 CTSL (0.38) BRAFCTSLCYP2C9
SCHEMBL4448633 0.91 CTSL (0.38) BRAFCTSLCYP2C9
SCHEMBL4456084 0.89 DGAT1 (0.43) CTSL
SCHEMBL4456080 0.89 DGAT1 (0.43) CTSL
SCHEMBL4446927 0.88 CTSL (0.39) BRAFCTSL
SCHEMBL4446922 0.88 CTSL (0.39) BRAFCTSL
SCHEMBL13960116 0.88 CTSL (0.48) CTSL
SCHEMBL4450267 0.83 KMT2A (0.43) CTSL
SCHEMBL4450250 0.83 KMT2A (0.43) CTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 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 (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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I BRAF 2034/4885CTSL 1254/4885CYP2C9 1456/4885

“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.