SCHEMBL3395013

SCHEMBL3395013

CN1CCC(C(c2ccccc2)N2CCNCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.57
CACNA1B Q00975 4/20 0.57
CACNB1 Q02641 4/20 0.57
CACNA1C Q13936 3/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
OPRM1 P35372 4/20 0.48
OPRD1 P41143 4/20 0.48
OPRK1 P41145 2/20 0.48
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 3/20 0.45
KCNH2 Q12809 3/20 0.45
CHRM2 P08172 2/20 0.45
ADRA2A P08913 2/20 0.45
CYP2D6 P10635 2/20 0.45
CHRM1 P11229 2/20 0.45
DRD1 P21728 2/20 0.45
DRD3 P35462 2/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL493178 0.88 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL3396087 0.85 CACNA2D1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL3391989 0.85 CACNA2D1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL8124509 0.84 OPRD1 (0.57) CACNA2D1CACNA1BCACNB1MEN1KMT2A
Hydrochloric Acid SCHEMBL27266176 0.81 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL493273 0.76 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL493711 0.76 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL2791861 0.75 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL3959438 0.75 SLC6A4 (0.51) CACNA1CMEN1KMT2AOPRD1SLC6A2
SCHEMBL646726 0.75 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1COPRM1

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 23 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 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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
EP-1784401-A4 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-07-15 EP 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-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
CN-101035783-A Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD (CA) 2007-09-12 CN disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO disclosed
EP-1784401-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-05-16 EP disclosed
US-20060063775-A1 Urea derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2006-03-23 US disclosed
WO-2006024160-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-03-09 WO 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 (4 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
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS RYR2, CACNA1E, RYR1 CACNA2D1 45/4885CACNA1B 5/4885CACNB1 18/4885

“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.