SCHEMBL3398085

SCHEMBL3398085

O=C(NC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2cccnc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 7/20 0.78
CACNA1B Q00975 7/20 0.78
CACNB1 Q02641 7/20 0.78
CACNA1C Q13936 4/20 0.78
CYP3A4 P08684 2/20 0.58
CYP3A5 P20815 2/20 0.58
MGLL Q99685 3/20 0.54
PLA2G7 Q13093 1/20 0.54
ABHD6 Q9BV23 1/20 0.54
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
HTT P42858 2/20 0.52
NAMPT P43490 1/20 0.52
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FAAH O00519 1/20 0.50
KMT2A Q03164 1/20 0.50

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 0.88 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CMGLL
SCHEMBL9852923 0.84
SCHEMBL3396530 0.82 CACNA2D1 (0.86) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL15094226 0.82 CYP3A4 (0.64) CYP3A4CYP3A5MGLLPLA2G7ABHD6
SCHEMBL3395395 0.81 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL3394418 0.81 CACNA2D1 (0.74) CACNA2D1CACNA1BCACNB1CACNA1CMGLL
SCHEMBL31350612 0.80 MAOB (0.70) CYP3A4CYP3A5MGLLPLA2G7ABHD6
SCHEMBL17512449 0.80 CACNA2D1 (0.81) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL31350777 0.78 MAOB (0.63) CYP3A4CYP3A5MGLLPLA2G7ABHD6
SCHEMBL3395370 0.78 CACNA2D1 (0.78) 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 20 patents. 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
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-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.