SCHEMBL5548264

SCHEMBL5548264

CN1CCC(CN2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 8/20 0.55
CACNA1B Q00975 8/20 0.55
CACNB1 Q02641 8/20 0.55
CACNA1C Q13936 8/20 0.55
CHRM4 P08173 3/20 0.52
CHRM3 P20309 3/20 0.52
CHRM5 P08912 2/20 0.52
CHRM1 P11229 2/20 0.52
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL5547625 0.88 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CCHRM4
SCHEMBL7339023 0.86 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1CCHRM4
SCHEMBL7339537 0.79 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CCHRM4
SCHEMBL17285967 0.78 ALDH1A1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL5547696 0.78 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1CCHRM4
SCHEMBL7346358 0.78 ALDH1A1 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL7340551 0.77 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL7342475 0.77 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL7342508 0.77 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL7375673 0.76 CACNA2D1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CCHRM4

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.