SCHEMBL4249392

SCHEMBL4249392

CC(N)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.66
OPRM1 P35372 4/20 0.66
CHRM2 P08172 3/20 0.66
ADRA2A P08913 3/20 0.66
CHRM1 P11229 3/20 0.66
DRD1 P21728 3/20 0.66
DRD3 P35462 3/20 0.66
SLC6A3 Q01959 3/20 0.66
KCNH2 Q12809 3/20 0.66
CHRM4 P08173 1/20 0.66
CHRM5 P08912 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CHRM3 P20309 1/20 0.66
ADRA1D P25100 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66
HRH1 P35367 1/20 0.66
HTR2B P41595 1/20 0.66
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.55

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
SCHEMBL4246058 0.90 KCNH2 (0.71) CYP2D6OPRM1CHRM2ADRA2ACHRM1
SCHEMBL3919536 0.85 OPRM1 (0.78) CYP2D6OPRM1CHRM2ADRA2ACHRM1
SCHEMBL8186671 0.85 OPRM1 (0.78) CYP2D6OPRM1CHRM2ADRA2ACHRM1
SCHEMBL7977689 0.85 OPRM1 (0.78) CYP2D6OPRM1CHRM2ADRA2ACHRM1
SCHEMBL8175607 0.85 OPRM1 (0.78) CYP2D6OPRM1CHRM2ADRA2ACHRM1
SCHEMBL16448455 0.83 OPRM1 (0.70) CYP2D6OPRM1CHRM2ADRA2ACHRM1
SCHEMBL16226967 0.82 CYP2D6 (0.83) CYP2D6OPRM1CHRM2ADRA2ACHRM1
SCHEMBL3977325 0.80 OPRM1 (0.66) CYP2D6OPRM1CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL16225962 0.80 CYP2D6 (0.80) CYP2D6OPRM1CHRM2ADRA2ACHRM1
SCHEMBL4249531 0.79 OPRM1 (0.59) CYP2D6OPRM1CHRM2ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP disclosed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US disclosed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US disclosed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 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 (1 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-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H CYP2D6 1325/4885OPRM1 438/4885CHRM2 904/4885

“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.