SCHEMBL5543951

SCHEMBL5543951

O=C(CN1CCN(C(c2ccccc2)c2ccc3c(c2)OCO3)CC1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 7/20 0.73
CACNA1B Q00975 7/20 0.73
CACNB1 Q02641 7/20 0.73
CACNA1C Q13936 7/20 0.73
OPRD1 P41143 1/20 0.55
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
SMAD3 P84022 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL5548263 0.85 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL5549056 0.81 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL5541417 0.81 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL5549190 0.79 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL5548282 0.78 CACNA2D1 (0.80) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL5549075 0.78 CACNA2D1 (0.80) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL5267438 0.76 CACNA2D1 (0.70) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5547410 0.76 CACNA2D1 (0.80) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL5541435 0.75 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL5547473 0.74 CACNA2D1 (0.76) 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 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.