SCHEMBL2794375

SCHEMBL2794375

CC(C)(C)N1CCN(C(c2ccccc2)C2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 17/20 0.73
CACNB1 Q02641 17/20 0.73
CACNA1B Q00975 16/20 0.73
CACNA1C Q13936 14/20 0.73
CACNA1H O95180 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CACNA1A O00555 2/20 0.49
CACNA1G O43497 3/20 0.47

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
SCHEMBL2796402 0.90 CACNA2D1 (0.60) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL2791224 0.88 CACNA2D1 (0.58) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL2790454 0.87 CACNA2D1 (0.91) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL8211709 0.86 CACNA2D1 (0.53) CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL2796769 0.85 CACNA2D1 (0.53) CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL2795772 0.84 CACNA2D1 (0.74) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL13262572 0.84 CACNA2D1 (0.77) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL2794772 0.83 CACNA2D1 (0.52) CACNA2D1CACNB1CACNA1BCACNA1CTDP1
SCHEMBL2792749 0.82 CACNA2D1 (0.71) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H
SCHEMBL4563663 0.82 CACNA2D1 (0.81) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1H

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US claimed
EP-2061780-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-05-27 EP claimed
WO-2008031227-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-03-20 WO claimed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US disclosed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US disclosed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US disclosed
WO-2008031227-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-03-20 WO 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-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1B, ORAI1 CACNA2D1 22/4885CACNB1 11/4885CACNA1B 2/4885

“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.