SCHEMBL2796385

SCHEMBL2796385

COc1ccccc1C(CC(=O)N1CCC(C(c2ccccc2)N2CC(C)NC(C)C2)CC1)c1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 9/20 0.53
▸ CACNA1B Q00975 9/20 0.53
▸ CACNB1 Q02641 9/20 0.53
▸ CACNA1C Q13936 7/20 0.53
▸ GAA P10253 1/20 0.45
▸ RORC P51449 1/20 0.44
▸ CACNA1G O43497 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ OPRD1 P41143 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL2793011 0.88 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL2795860 0.88 CACNA2D1 (0.67) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL2791224 0.83 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL8210362 0.80 CACNA2D1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CTDP1
SCHEMBL8202992 0.77 CACNA1B (0.53) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL8211038 0.77 CACNA2D1 (0.47) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL2793350 0.74 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL2795061 0.74 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL4414919 0.73 OPRD1 (0.35) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2793286 0.73 CACNA2D1 (0.72) CACNA2D1CACNA1BCACNB1CACNA1CGAA

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 22/4885CACNA1B 2/4885CACNB1 11/4885

“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.

Send feedback