SCHEMBL1335007

SCHEMBL1335007

O=C(N[C@H]1CC[C@@H]2CN(c3cccc(C(F)(F)F)c3)C[C@@H]21)[C@@H]1C[C@H](F)CN1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.56
KCNH2 Q12809 2/20 0.43
NOTUM Q6P988 1/20 0.41
POLB P06746 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
ACACB O00763 1/20 0.36

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
SCHEMBL1336419 1.00 CACNA1B (0.56) CACNA1BKCNH2NOTUMPOLBTRPV1
SCHEMBL1336572 0.89 CACNA1B (0.54) CACNA1BKCNH2NOTUM
SCHEMBL1336344 0.89 CACNA1B (0.54) CACNA1BKCNH2NOTUM
SCHEMBL1335871 0.88 CACNA1B (0.42) CACNA1BKCNH2POLBTRPV1LMNA
SCHEMBL16497797 0.88 CACNA1B (0.42) CACNA1BNOTUMHTTALDH1A1MAPT
SCHEMBL1337322 0.88 CACNA1B (0.42) CACNA1BNOTUMHTTALDH1A1MAPT
SCHEMBL1335079 0.88 CACNA1B (0.46) CACNA1BNOTUMACACB
SCHEMBL16497846 0.87 CACNA1B (0.43) CACNA1BNOTUM
SCHEMBL1337036 0.87 CACNA1B (0.43) CACNA1BNOTUM
SCHEMBL1335866 0.85 CACNA1B (0.42) CACNA1BALDH1A1NPSR1MAPT

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 5/4885KCNH2 24/4885NOTUM 3350/4885

“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.