SCHEMBL3395061

SCHEMBL3395061

CN1CCCCC1CN1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
CACNA2D1 P54289 6/20 0.51
CACNA1B Q00975 6/20 0.51
CACNB1 Q02641 6/20 0.51
CACNA1C Q13936 4/20 0.51
ALDH1A1 P00352 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM3 P20309 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL13496692 1.00 HTT (0.60) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3656117 0.97 HTT (0.61) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3434414 0.97 HTT (0.61) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3395921 0.81 HTT (0.67) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3432018 0.81 HTT (0.80) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3394200 0.81 CACNA2D1 (0.67) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3394465 0.80 HTT (0.60) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL13496706 0.79 HTT (0.64) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2795518 0.78 CACNA2D1 (0.61) HTTCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2796150 0.78 MAPT (0.57) HTTCACNA2D1CACNA1BCACNB1CACNA1C

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 1333/4885CACNA2D1 26/4885CACNA1B 3/4885
US-20060063775-A1 Urea derivatives as calcium channel blockers ORAI1, ATP2A1, CACNA1B HTT 1333/4885CACNA2D1 26/4885CACNA1B 3/4885
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ORAI1, ATP2A1, CACNA1B HTT 1333/4885CACNA2D1 26/4885CACNA1B 3/4885

“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.