SCHEMBL3334971

SCHEMBL3334971

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.48
KCNH2 Q12809 6/20 0.48
KMT2A Q03164 4/20 0.48
OPRM1 P35372 4/20 0.48
CHRM2 P08172 2/20 0.48
ADRA2A P08913 2/20 0.48
CHRM1 P11229 2/20 0.48
DRD1 P21728 2/20 0.48
DRD3 P35462 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MEN1 O00255 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM3 P20309 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 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
SCHEMBL3330332 0.88 OPRM1 (0.52) CYP2D6KCNH2KMT2AOPRM1CHRM2
SCHEMBL9820679 0.81 CYP2D6 (0.60) CYP2D6KCNH2OPRM1CHRM2ADRA2A
SCHEMBL2221875 0.79 OPRM1 (0.54) CYP2D6KCNH2KMT2AOPRM1CHRM2
SCHEMBL2054235 0.79 CYP2D6 (0.67) CYP2D6KCNH2KMT2AOPRM1CHRM2
SCHEMBL1502253 0.79 CYP2D6 (0.65) CYP2D6KCNH2KMT2AOPRM1CHRM2
SCHEMBL6184552 0.78 CYP2D6 (0.42) CYP2D6KCNH2KMT2AOPRM1CHRM2
Hydrochloric Acid SCHEMBL16107427 0.77 CYP2D6 (0.64) CYP2D6KCNH2KMT2AOPRM1CHRM2
SCHEMBL5267415 0.77 CYP2D6 (0.68) CYP2D6KCNH2KMT2AOPRM1CHRM2
Hydrochloric Acid SCHEMBL31327366 0.75 CYP2D6 (0.65) CYP2D6KCNH2KMT2AOPRM1CHRM2
SCHEMBL9996665 0.75 OPRM1 (0.61) CYP2D6KCNH2KMT2AOPRM1CHRM2

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 13 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
EP-0207674-A2 1,4-Dihydropyridine derivatives, their preparation and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP claimed
US-20100144696-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2010-06-10 US disclosed
US-20100144697-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
US-4992451-A Hypotensive agents, calcium blocking agents SANKYO COMPANY, LIMITED (JP) 1991-02-12 US disclosed
EP-0207674-A2 1,4-Dihydropyridine derivatives, their preparation and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP 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 CYP2D6 514/4885KCNH2 25/4885KMT2A 3486/4885
US-20100144697-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B CYP2D6 514/4885KCNH2 25/4885KMT2A 3486/4885
US-20070142442-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B CYP2D6 514/4885KCNH2 25/4885KMT2A 3486/4885
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1S, CACNA1C, CACNA1D CYP2D6 639/4885KCNH2 28/4885KMT2A 3135/4885

“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.