SCHEMBL2796749

SCHEMBL2796749

CC(C)(C)N1CCN(CC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 10/20 0.73
CACNB1 Q02641 10/20 0.73
CACNA1B Q00975 9/20 0.73
CACNA1C Q13936 5/20 0.73
TDP1 Q9NUW8 1/20 0.54
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1A O00555 1/20 0.45

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
SCHEMBL8212834 0.87 CACNA2D1 (0.91) CACNA2D1CACNB1CACNA1BCACNA1CTDP1
SCHEMBL2790390 0.87 CACNA2D1 (0.55) CACNA2D1CACNB1CACNA1BCACNA1CTDP1
SCHEMBL2790984 0.86 CACNA2D1 (0.54) CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL2795615 0.85 CACNA2D1 (0.54) CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL2793260 0.85 CACNA2D1 (0.53) CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL3861078 0.84 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CTDP1
SCHEMBL2793058 0.84 CACNA2D1 (0.73) CACNA2D1CACNB1CACNA1BCACNA1CTDP1
SCHEMBL2794307 0.82 TDP1 (0.62) CACNA2D1CACNB1CACNA1BCACNA1CTDP1
SCHEMBL2791261 0.82 HTT (0.54) CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL2794375 0.81 CACNA2D1 (0.73) CACNA2D1CACNB1CACNA1BCACNA1CTDP1

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.