SCHEMBL5547656

SCHEMBL5547656

O=C(CN(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 1.00
CACNA1B Q00975 9/20 1.00
CACNB1 Q02641 9/20 1.00
CACNA1G O43497 1/20 0.73
CACNA1C Q13936 2/20 0.65
CNR1 P21554 9/20 0.65
CNR2 P34972 9/20 0.65

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
SCHEMBL5544073 0.89 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5544042 0.87 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5547482 0.86 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5265544 0.84 CACNA1G (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5547406 0.84 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5541405 0.84 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5541470 0.81 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL6505599 0.80 CACNA2D1 (0.67) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5541451 0.79 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5543965 0.78 CACNA2D1 (0.77) 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
US-20050227999-A1 Diarylamine derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-10-13 US claimed
EP-1745042-A1 DIARYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-01-24 EP disclosed
WO-2005097779-A1 DIARYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-10-20 WO disclosed
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.