SCHEMBL4247776

SCHEMBL4247776

CC(C)(C)n1nc(CNCCN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.46
KCNH2 Q12809 5/20 0.46
OPRK1 P41145 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
CNR1 P21554 2/20 0.46
GHSR Q92847 2/20 0.46
LMNA P02545 2/20 0.46
NR1I2 O75469 1/20 0.46
PDE4D Q08499 1/20 0.46
DRD3 P35462 6/20 0.44
CHRM2 P08172 3/20 0.44
ADRA2A P08913 3/20 0.44
ADRA1A P35348 3/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
CHRM1 P11229 2/20 0.44
DRD1 P21728 2/20 0.44
HTR1A P08908 1/20 0.44
BCL2 P10415 1/20 0.44

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
SCHEMBL4249379 0.99 CACNA1G (0.45) HRH1KCNH2OPRK1ADORA3CNR1
SCHEMBL4248952 0.97 DRD3 (0.44) HRH1KCNH2OPRK1ADORA3CNR1
SCHEMBL4249535 0.91 CACNA1G (0.45) LMNADRD3CACNA1GDRD2CYP2C19
SCHEMBL4245578 0.86 CACNA1G (0.49) HRH1KCNH2OPRK1ADORA3CNR1
SCHEMBL4245546 0.86 KCNH2 (0.44) HRH1KCNH2OPRK1ADORA3CNR1
SCHEMBL4255404 0.85 CACNA1G (0.47) LMNADRD3HTR1ACACNA1GDRD2
SCHEMBL4253374 0.84 MALT1 (0.48) HRH1KCNH2OPRK1DRD3CHRM2
SCHEMBL13994813 0.83 MALT1 (0.47) HRH1KCNH2OPRK1ADORA3CNR1
SCHEMBL4245635 0.80 CACNA1G (0.42) HRH1DRD3ADRA1AHTR1ACACNA1G
SCHEMBL4250460 0.80 MALT1 (0.47) HRH1KCNH2OPRK1DRD3CHRM2

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 8 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 claimed
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 claimed
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 claimed
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 claimed
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 HRH1 1585/4885KCNH2 31/4885OPRK1 251/4885

“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.