SCHEMBL5543965

SCHEMBL5543965

O=C(CN(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccn2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 8/20 0.77
CACNA1B Q00975 8/20 0.77
CACNB1 Q02641 8/20 0.77
ALDH1A1 P00352 2/20 0.55
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
CACNA1H O95180 1/20 0.51
CACNA1C Q13936 1/20 0.51
OPRD1 P41143 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
TP53 P04637 1/20 0.51
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5541405 0.88 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1ALDH1A1CACNA1H
SCHEMBL6507611 0.86 CACNA2D1 (0.85) CACNA2D1CACNA1BCACNB1ALDH1A1FNTA
SCHEMBL5541469 0.83 CACNA2D1 (0.80) CACNA2D1CACNA1BCACNB1CACNA1HCACNA1C
SCHEMBL5544042 0.81 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1HCACNA1C
SCHEMBL5544073 0.79 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1HCACNA1C
SCHEMBL5547473 0.78 CACNA2D1 (0.76) CACNA2D1CACNA1BCACNB1ALDH1A1FNTA
SCHEMBL6498386 0.78 CACNA2D1 (0.80) CACNA2D1CACNA1BCACNB1ALDH1A1CACNA1H
SCHEMBL5547482 0.78 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1HCACNA1C
SCHEMBL5547656 0.78 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5547406 0.76 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1C

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.