SCHEMBL2844971

SCHEMBL2844971

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

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.68
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 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
SCHEMBL2849860 1.00 CACNA1B (0.68) CACNA1BGAAHPGDSMN1; SMN2KCNH2
SCHEMBL66128 0.91 CACNA1B (0.67) CACNA1BGAAHPGDKCNH2
SCHEMBL67782 0.88 CACNA1B (0.75) CACNA1BGAAHPGDKCNH2
SCHEMBL66899 0.88 CACNA1B (0.75) CACNA1BGAAHPGDKCNH2
SCHEMBL66848 0.88 CACNA1B (0.75) CACNA1BGAAHPGDKCNH2
SCHEMBL67416 0.87 CACNA1B (0.72) CACNA1BGAAHPGDKCNH2
SCHEMBL66001 0.85 CACNA1B (0.64) CACNA1BGAAHPGDSMN1; SMN2KCNH2
SCHEMBL66572 0.85 CACNA1B (0.64) CACNA1BGAAHPGDSMN1; SMN2KCNH2
SCHEMBL66244 0.85 CACNA1B (0.64) CACNA1BGAAHPGDSMN1; SMN2KCNH2
SCHEMBL16497787 0.85 CACNA1B (0.64) CACNA1BGAAHPGDSMN1; SMN2KCNH2

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 5/4885GAA 2205/4885HPGD 1353/4885

“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.