SCHEMBL2849397

SCHEMBL2849397

CN(C(=O)O)[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.74
KCNH2 Q12809 2/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.43

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
SCHEMBL2845630 1.00 CACNA1B (0.74) CACNA1BKCNH2GAAHPGDKMT2A
SCHEMBL66352 0.95 CACNA1B (0.71) CACNA1BKCNH2GAAHPGDKMT2A
SCHEMBL67240 0.95 CACNA1B (0.71) CACNA1BKCNH2GAAHPGDKMT2A
SCHEMBL66742 0.91 CACNA1B (0.71) CACNA1BKCNH2GAAHPGD
SCHEMBL67239 0.91 CACNA1B (0.70) CACNA1BKCNH2GAAHPGD
SCHEMBL66351 0.91 CACNA1B (0.70) CACNA1BKCNH2GAAHPGD
SCHEMBL2843161 0.90 CACNA1B (0.74) CACNA1BKCNH2GAA
SCHEMBL2844756 0.90 CACNA1B (0.74) CACNA1BKCNH2GAA
SCHEMBL2421247 0.86 CACNA1B (0.72) CACNA1BKCNH2GAAHPGD
SCHEMBL2421245 0.86 CACNA1B (0.72) CACNA1BKCNH2GAAHPGD

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 5/4885KCNH2 24/4885GAA 2205/4885

“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.