SCHEMBL8210362

SCHEMBL8210362

CC1CN(C(c2ccccc2)C2CCN(C(=O)COC(c3ccccc3)c3ccccc3)CC2)CC(C)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 5/20 0.48
▸ CACNA1B Q00975 5/20 0.48
▸ CACNB1 Q02641 5/20 0.48
▸ CACNA1C Q13936 4/20 0.48
▸ OPRD1 P41143 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37

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
SCHEMBL8202992 0.94 CACNA1B (0.53) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL2795860 0.85 CACNA2D1 (0.67) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL2792070 0.84 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL8213090 0.84 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL2792482 0.83 ALDH1A1 (0.44) CACNA2D1CACNA1BCACNB1ALDH1A1KDM4E
SCHEMBL2794338 0.82 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2796769 0.81 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL2796385 0.80 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL2793011 0.80 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL8211038 0.80 CACNA2D1 (0.47) CACNA2D1CACNA1BCACNB1CACNA1COPRD1

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 3 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 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.

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