SCHEMBL1336133

SCHEMBL1336133

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

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.67
NOTUM Q6P988 1/20 0.43
ACACB O00763 1/20 0.41
KCNH2 Q12809 2/20 0.40
CHRM4 P08173 2/20 0.40

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
SCHEMBL1337073 0.90 CACNA1B (0.82) CACNA1BNOTUMACACBKCNH2CHRM4
SCHEMBL1337124 0.90 CACNA1B (0.82) CACNA1BCHRM4
SCHEMBL1336135 0.88 CACNA1B (0.53) CACNA1BNOTUMACACBCHRM4
SCHEMBL1336112 0.86 CACNA1B (0.62) CACNA1BNOTUMACACBKCNH2CHRM4
SCHEMBL1335993 0.82 CACNA1B (0.81) CACNA1BKCNH2
SCHEMBL1336994 0.80 CACNA1B (1.00) CACNA1BCHRM4
SCHEMBL1337234 0.80 CACNA1B (1.00) CACNA1BCHRM4
SCHEMBL1337187 0.80 CACNA1B (0.80) CACNA1BCHRM4
SCHEMBL1337075 0.80 CACNA1B (0.64) CACNA1BNOTUMACACBCHRM4
SCHEMBL1335805 0.80 CACNA1B (0.51) CACNA1BNOTUMACACBCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885NOTUM 3350/4885ACACB 2352/4885

“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.