SCHEMBL1335871

SCHEMBL1335871

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.42
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.35
NPY5R Q15761 1/20 0.35
CTSC P53634 3/20 0.34
BPTF Q12830 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 2/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 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
SCHEMBL1337322 0.90 CACNA1B (0.42) CACNA1BNPY5RCTSC
SCHEMBL16497797 0.90 CACNA1B (0.42) CACNA1BNPY5RCTSC
SCHEMBL1337036 0.90 CACNA1B (0.43) CACNA1BNPY5RCTSCHTR2AHTR2C
SCHEMBL16497846 0.90 CACNA1B (0.43) CACNA1BNPY5RCTSCHTR2AHTR2C
SCHEMBL1336361 0.88 CACNA1B (0.41) CACNA1BLMNACTSC
SCHEMBL1336419 0.88 CACNA1B (0.56) CACNA1BPOLBLMNATRPV1KCNH2
SCHEMBL1335866 0.88 CACNA1B (0.42) CACNA1BNPY5RCHRNB4CHRNA3
SCHEMBL1335007 0.88 CACNA1B (0.56) CACNA1BPOLBLMNATRPV1KCNH2
SCHEMBL1334927 0.87 NOTUM (0.41) CACNA1BNPY5RCTSCCHRM1CHRNB4
SCHEMBL1335079 0.86 CACNA1B (0.46) CACNA1BCHRM1

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 5/4885POLB 3123/4885LMNA 598/4885

“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.