SCHEMBL5543946

SCHEMBL5543946

O=C(CN(c1ccccc1)c1ccccc1)N1CC(=O)N(C(c2ccccc2)c2ccccc2)CC1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 12/20 0.54
CACNA1B Q00975 12/20 0.54
CACNB1 Q02641 12/20 0.54
CACNA1C Q13936 5/20 0.37
CACNA1H O95180 1/20 0.35
DPP8 Q6V1X1 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL17360649 0.75 KMT2A (0.41) ALDH1A1KDM4E
SCHEMBL3396797 0.72 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL5547385 0.72 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CDPP8
SCHEMBL5541405 0.70 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL4463331 0.66 CACNA2D1 (0.47) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL6507611 0.65 CACNA2D1 (0.85) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5544042 0.65 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5547414 0.64 CACNA2D1 (0.69) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5269514 0.64 CACNA2D1 (0.63) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5544073 0.64 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745042-A1 DIARYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-01-24 EP claimed
WO-2005097779-A1 DIARYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-10-20 WO claimed
US-20050227999-A1 Diarylamine derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-10-13 US claimed
US-20050227999-A1 Diarylamine derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-10-13 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-20050227999-A1 Diarylamine derivatives as calcium channel blockers ORAI1, CACNA1D, CACNA1C CACNA2D1 51/4885CACNA1B 4/4885CACNB1 12/4885

“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.