SCHEMBL2844616

SCHEMBL2844616

CC(C)(C)C[C@H](NC(=O)O)C(=O)N[C@H]1CC[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]21

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.50
ACACB O00763 3/20 0.43
GRIN2B Q13224 2/20 0.41

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
SCHEMBL66723 0.94 CACNA1B (0.46) CACNA1BACACBGRIN2B
SCHEMBL66587 0.87 CACNA1B (0.59) CACNA1BACACBGRIN2B
SCHEMBL1336427 0.85 CACNA1B (0.59) CACNA1BACACBGRIN2B
SCHEMBL66722 0.84 CACNA1B (0.44) CACNA1BACACBGRIN2B
SCHEMBL2843378 0.83 CACNA1B (0.54) CACNA1BACACB
SCHEMBL3249607 0.83 CACNA1B (0.54) CACNA1BACACB
SCHEMBL1336979 0.83 CACNA1B (0.46) CACNA1BACACBGRIN2B
SCHEMBL1334987 0.83 CACNA1B (0.69) CACNA1BACACB
SCHEMBL1335911 0.82 CACNA1B (0.58) CACNA1BACACBGRIN2B
SCHEMBL1337059 0.82 CACNA1B (0.61) CACNA1BACACBGRIN2B

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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US claimed

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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885ACACB 2352/4885GRIN2B 219/4885

“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.