SCHEMBL3394473

SCHEMBL3394473

O=C(NC(c1ccccc1)c1ccccc1)N1CCN(CC2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KDM4E B2RXH2 2/20 0.56
CACNA2D1 P54289 3/20 0.52
CACNA1B Q00975 3/20 0.52
CACNB1 Q02641 3/20 0.52
CACNA1C Q13936 2/20 0.52
FAAH O00519 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
DPP7 Q9UHL4 1/20 0.50
LMNA P02545 1/20 0.50
CCR2 P41597 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPT P10636 1/20 0.50
CHRM4 P08173 3/20 0.49
CA12 O43570 1/20 0.48

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
SCHEMBL13496706 0.92 HTT (0.64) HTTSLC6A4SLC6A3CACNA2D1CACNA1B
SCHEMBL3395921 0.89 HTT (0.67) HTTKDM4ECACNA2D1CACNA1BCACNB1
SCHEMBL3394200 0.86 CACNA2D1 (0.67) HTTSLC6A4SLC6A3CACNA2D1CACNA1B
SCHEMBL3396203 0.85 HTT (0.59) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3390196 0.84 SLC6A4 (0.51) HTTSLC6A4SLC6A3KDM4ECACNA2D1
SCHEMBL2795518 0.84 CACNA2D1 (0.61) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2796150 0.83 MAPT (0.57) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3390184 0.83 SLC6A4 (0.53) SLC6A4SLC6A3KDM4ECHRM4
SCHEMBL3398020 0.82 CACNA2D1 (0.56) HTTSLC6A4SLC6A3KDM4ECACNA2D1
SCHEMBL2791261 0.81 HTT (0.54) HTTSLC6A4SLC6A3CACNA2D1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659395-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-02-09 US claimed
EP-1784401-A4 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-07-15 EP claimed
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-11 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-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 HTT 1333/4885SLC6A4 1040/4885SLC6A3 2593/4885
US-20060063775-A1 Urea derivatives as calcium channel blockers ORAI1, ATP2A1, CACNA1B HTT 1333/4885SLC6A4 1040/4885SLC6A3 2593/4885
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ORAI1, ATP2A1, CACNA1B HTT 1333/4885SLC6A4 1040/4885SLC6A3 2593/4885

“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.