SCHEMBL3330332

SCHEMBL3330332

[CH]1CCN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.52
KMT2A Q03164 4/20 0.52
CHRM2 P08172 2/20 0.52
ADRA2A P08913 2/20 0.52
CHRM1 P11229 2/20 0.52
DRD1 P21728 2/20 0.52
DRD3 P35462 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KCNH2 Q12809 2/20 0.52
MEN1 O00255 2/20 0.52
CYP2D6 P10635 2/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM3 P20309 1/20 0.52
ADRA1D P25100 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52

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
SCHEMBL3334971 0.88 CYP2D6 (0.48) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL9996665 0.87 OPRM1 (0.61) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL2221875 0.82 OPRM1 (0.54) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL3919536 0.77 OPRM1 (0.78) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL7977689 0.77 OPRM1 (0.78) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL8175607 0.77 OPRM1 (0.78) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL8186671 0.77 OPRM1 (0.78) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL2054235 0.73 CYP2D6 (0.67) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL1502253 0.73 CYP2D6 (0.65) OPRM1KMT2ACHRM2ADRA2ACHRM1
SCHEMBL2266405 0.73 OPRM1 (0.54) OPRM1KMT2ACHRM2ADRA2ACHRM1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1436077-A stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2003-08-13 CN claimed
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2003-04-17 US claimed
EP-1285655-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS CONTAINING CALCIUM CHANNEL BLOCKERS Sankyo Company, Limited (JP) 2003-02-26 EP claimed
US-20100144697-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2010-06-10 US disclosed
US-20100144696-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2010-06-10 US disclosed
CN-100450483-C stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2009-01-14 CN disclosed
US-20070142442-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
CN-1436077-A stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2003-08-13 CN disclosed
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2003-04-17 US disclosed
EP-1285655-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS CONTAINING CALCIUM CHANNEL BLOCKERS Sankyo Company, Limited (JP) 2003-02-26 EP disclosed
CN-1017897-B DIHYDROPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE SANKYO CO (JP) 1992-08-19 CN disclosed
CN-87107150-A Dihydrogen pyridine derivative and its production and use 1988-05-04 CN 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-20100144696-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B OPRM1 978/4885KMT2A 3486/4885CHRM2 141/4885
US-20100144697-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B OPRM1 978/4885KMT2A 3486/4885CHRM2 141/4885
US-20070142442-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B OPRM1 978/4885KMT2A 3486/4885CHRM2 141/4885
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1S, CACNA1C, CACNA1D OPRM1 566/4885KMT2A 3135/4885CHRM2 228/4885

“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.