SCHEMBL4248952

SCHEMBL4248952

Cc1ccc(-c2cc(CNCCN3CCN(C(c4ccccc4)c4ccc(Cl)cc4)CC3)nn2C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.44
KCNH2 Q12809 5/20 0.44
HRH1 P35367 5/20 0.44
DRD2 P14416 4/20 0.44
OPRK1 P41145 3/20 0.44
CHRM2 P08172 3/20 0.44
ADRA2A P08913 3/20 0.44
ADRA1A P35348 3/20 0.44
CYP2D6 P10635 3/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
USP2 O75604 3/20 0.44
HRH2 P25021 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2B P41595 3/20 0.44
CYP3A4 P08684 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CNR1 P21554 2/20 0.44
GHSR Q92847 2/20 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
SCHEMBL4247776 0.97 HRH1 (0.46) DRD3KCNH2HRH1DRD2OPRK1
SCHEMBL4249379 0.96 CACNA1G (0.45) DRD3KCNH2HRH1DRD2OPRK1
SCHEMBL4249535 0.95 CACNA1G (0.45) DRD3DRD2CYP3A4CYP2C19LMNA
SCHEMBL13994813 0.87 MALT1 (0.47) DRD3KCNH2HRH1DRD2OPRK1
SCHEMBL13994807 0.83 DRD4 (0.46) DRD2DRD4LMNAALOX15GAA
SCHEMBL4245546 0.83 KCNH2 (0.44) DRD3KCNH2HRH1DRD2OPRK1
SCHEMBL4245578 0.83 CACNA1G (0.49) DRD3KCNH2HRH1DRD2OPRK1
SCHEMBL4255404 0.82 CACNA1G (0.47) DRD3DRD2DRD4LMNAKMT2A
SCHEMBL4245603 0.81 CACNA1G (0.43) KCNH2DRD2ADRA1ADRD4CACNA1G
SCHEMBL4253374 0.81 MALT1 (0.48) DRD3KCNH2HRH1DRD2OPRK1

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 DRD3 680/4885KCNH2 31/4885HRH1 1585/4885

“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.