SCHEMBL3396530

SCHEMBL3396530

O=C(NC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(O)cc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 8/20 0.86
CACNA1B Q00975 8/20 0.86
CACNB1 Q02641 8/20 0.86
CACNA1C Q13936 5/20 0.86
HTT P42858 2/20 0.56
KMT2A Q03164 4/20 0.55
CNR1 P21554 2/20 0.54
CNR2 P34972 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAOB P27338 1/20 0.54
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CACNA1H O95180 1/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL3396540 0.93 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL3395395 0.88 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL3396489 0.85 CACNA2D1 (0.78) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL3395370 0.85 CACNA2D1 (0.78) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL3397289 0.84 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL17512449 0.84 CACNA2D1 (0.81) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL13497210 0.84 CACNA2D1 (0.76) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL15920269 0.82 CA12 (0.64) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL3396784 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL3398085 0.82 CACNA2D1 (0.78) CACNA2D1CACNA1BCACNB1CACNA1CHTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784401-A4 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-07-15 EP claimed
US-7378420-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2008-05-27 US claimed
EP-1784401-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-05-16 EP claimed
US-20060063775-A1 Urea derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2006-03-23 US claimed
WO-2006024160-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-03-09 WO claimed
US-7659395-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-02-09 US disclosed
US-7659395-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-02-09 US disclosed
US-7659395-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-02-09 US disclosed
US-7649092-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-01-19 US disclosed
US-7649092-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-01-19 US disclosed
US-7649092-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-01-19 US disclosed
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-11 US disclosed
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-11 US disclosed
US-20080207633-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-08-28 US disclosed
US-20080207633-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-08-28 US disclosed
US-20080207633-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-08-28 US disclosed
US-7378420-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2008-05-27 US disclosed
US-7378420-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2008-05-27 US disclosed
US-7378420-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2008-05-27 US disclosed
US-20060063775-A1 Urea derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2006-03-23 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 (3 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-20080207633-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ORAI1, ATP2A1, CACNA1B CACNA2D1 26/4885CACNA1B 3/4885CACNB1 25/4885
US-20060063775-A1 Urea derivatives as calcium channel blockers ORAI1, ATP2A1, CACNA1B CACNA2D1 26/4885CACNA1B 3/4885CACNB1 25/4885
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ORAI1, ATP2A1, CACNA1B CACNA2D1 26/4885CACNA1B 3/4885CACNB1 25/4885

“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.