SCHEMBL2796402

SCHEMBL2796402

Cc1ccccc1C(CC(=O)N1CCC(C(c2ccccc2)N2CCN(C(C)(C)C)CC2)CC1)c1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 11/20 0.60
CACNB1 Q02641 11/20 0.60
CACNA1B Q00975 10/20 0.60
CACNA1C Q13936 8/20 0.60
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNA1G O43497 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CACNA1H O95180 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
CACNA1A O00555 1/20 0.40

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
SCHEMBL2794375 0.90 CACNA2D1 (0.73) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL2793286 0.89 CACNA2D1 (0.72) CACNA2D1CACNB1CACNA1BCACNA1CHPGD
SCHEMBL2791224 0.88 CACNA2D1 (0.58) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL2795061 0.88 CACNA2D1 (0.61) CACNA2D1CACNB1CACNA1BCACNA1CHPGD
SCHEMBL2793011 0.82 CACNA2D1 (0.54) CACNA2D1CACNB1CACNA1BCACNA1CHPGD
SCHEMBL2795495 0.81 TDP1 (0.46) CACNA2D1CACNB1CACNA1BCACNA1CHPGD
SCHEMBL8211709 0.81 CACNA2D1 (0.53) CACNA2D1CACNB1CACNA1BCACNA1CMEN1
SCHEMBL2790390 0.81 CACNA2D1 (0.55) CACNA2D1CACNB1CACNA1BCACNA1CHPGD
SCHEMBL2796769 0.80 CACNA2D1 (0.53) CACNA2D1CACNB1CACNA1BCACNA1CCYP3A4
SCHEMBL2794772 0.78 CACNA2D1 (0.52) CACNA2D1CACNB1CACNA1BCACNA1CCYP3A4

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.