SCHEMBL1337375

SCHEMBL1337375

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.61
LIPE Q05469 4/20 0.40
CHRM4 P08173 5/20 0.40
DPP4 P27487 1/20 0.39
EPHX2 P34913 3/20 0.38
CASR P41180 2/20 0.38
ACACB O00763 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL1337373 0.82 CACNA1B (0.71) CACNA1BLIPECHRM4EPHX2
SCHEMBL1337441 0.82 CACNA1B (0.65) CACNA1BLIPECHRM4EPHX2
SCHEMBL1336996 0.79 CACNA1B (0.77) CACNA1BLIPECHRM4EPHX2
SCHEMBL1337237 0.79 CACNA1B (0.77) CACNA1BLIPECHRM4EPHX2
SCHEMBL1337128 0.78 CACNA1B (0.65) CACNA1BLIPECHRM4EPHX2
SCHEMBL1337438 0.78 CACNA1B (0.75) CACNA1BLIPECHRM4EPHX2
SCHEMBL1335860 0.77 CACNA1B (0.59) CACNA1BLIPECHRM4
SCHEMBL1337126 0.77 CACNA1B (0.64) CACNA1BLIPECHRM4EPHX2
SCHEMBL1336994 0.76 CACNA1B (1.00) CACNA1BLIPECHRM4
SCHEMBL1337234 0.76 CACNA1B (1.00) CACNA1BLIPECHRM4

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 5/4885LIPE 3731/4885CHRM4 213/4885

“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.