SCHEMBL1336673

SCHEMBL1336673

O=C(N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@H]21)[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.58
EPHX2 P34913 1/20 0.48
GAA P10253 1/20 0.43
BRD4 O60885 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL1335062 0.90 KMT2A (0.48) CACNA1BEPHX2GAATDP1L3MBTL1
SCHEMBL2844339 0.90 CACNA1B (0.60) CACNA1B
SCHEMBL2422335 0.90 CACNA1B (0.60) CACNA1B
SCHEMBL67714 0.88 CACNA1B (0.58) CACNA1BEPHX2GAA
SCHEMBL16497704 0.87 CACNA1B (0.61) CACNA1B
SCHEMBL16497986 0.87 CACNA1B (0.61) CACNA1B
SCHEMBL16497855 0.87 CACNA1B (0.61) CACNA1B
SCHEMBL16497791 0.82 CACNA1B (0.51) CACNA1BALDH1A1
SCHEMBL16497805 0.82 CACNA1B (0.51) CACNA1BALDH1A1
SCHEMBL1334977 0.82 CACNA1B (0.51) CACNA1BALDH1A1

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-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 5/4885EPHX2 1564/4885GAA 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.