SCHEMBL2793294

SCHEMBL2793294

CN1CCN(C(c2ccccc2)C2CCN(C(=O)CNC(=O)CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.74
CACNA2D1 P54289 9/20 0.74
CACNB1 Q02641 9/20 0.74
CACNA1C Q13936 8/20 0.74
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
KDM1A O60341 2/20 0.41
MAOB P27338 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CACNA1H O95180 1/20 0.39
MC4R P32245 1/20 0.39
MC1R Q01726 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL2797186 0.89 CACNA2D1 (0.92) CACNA1BCACNA2D1CACNB1CACNA1CTDP1
SCHEMBL2790454 0.83 CACNA2D1 (0.91) CACNA1BCACNA2D1CACNB1CACNA1CTDP1
SCHEMBL4563663 0.80 CACNA2D1 (0.81) CACNA1BCACNA2D1CACNB1CACNA1CTDP1
SCHEMBL5017461 0.80 CACNA2D1 (0.85) CACNA1BCACNA2D1CACNB1CACNA1CTDP1
SCHEMBL2792554 0.79 CACNA2D1 (0.64) CACNA1BCACNA2D1CACNB1CACNA1CHTT
SCHEMBL4279744 0.77 CACNA2D1 (0.77) CACNA1BCACNA2D1CACNB1CACNA1CMEN1
SCHEMBL3394375 0.75 CACNA2D1 (0.70) CACNA1BCACNA2D1CACNB1CACNA1CHTT
SCHEMBL4279752 0.74 CACNA2D1 (0.66) CACNA1BCACNA2D1CACNB1CACNA1C
SCHEMBL644607 0.74 CACNA2D1 (0.60) CACNA1BCACNA2D1CACNB1CACNA1CKMT2A
SCHEMBL2791280 0.74 CACNA2D1 (0.66) CACNA1BCACNA2D1CACNB1CACNA1CKMT2A

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 6 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

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 CACNA1B 2/4885CACNA2D1 22/4885CACNB1 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.