SCHEMBL1337322

SCHEMBL1337322

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.42
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NOTUM Q6P988 1/20 0.37
DPP4 P27487 1/20 0.36
CTSC P53634 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
NPY5R Q15761 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL16497797 1.00 CACNA1B (0.42) CACNA1BMAPTALDH1A1NOTUMDPP4
SCHEMBL1335871 0.90 CACNA1B (0.42) CACNA1BCTSCNPY5R
SCHEMBL1337036 0.90 CACNA1B (0.43) CACNA1BNOTUMCTSCNPY5RDRD2
SCHEMBL16497846 0.90 CACNA1B (0.43) CACNA1BNOTUMCTSCNPY5RDRD2
SCHEMBL1336425 0.89 CACNA1B (0.40) CACNA1BNOTUMDPP4CTSC
SCHEMBL16497764 0.89 CACNA1B (0.40) CACNA1BNOTUMDPP4CTSC
SCHEMBL1335866 0.88 CACNA1B (0.42) CACNA1BMAPTALDH1A1NPY5R
SCHEMBL1336419 0.88 CACNA1B (0.56) CACNA1BMAPTALDH1A1NOTUMHTT
SCHEMBL1335007 0.88 CACNA1B (0.56) CACNA1BMAPTALDH1A1NOTUMHTT
SCHEMBL1334927 0.87 NOTUM (0.41) CACNA1BNOTUMDPP4CTSCNPY5R

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 5/4885MAPT 1184/4885ALDH1A1 556/4885

“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.