SCHEMBL4248059

SCHEMBL4248059

Clc1ccc(C(c2ccccc2)N2CCN(CCNCc3cc(-c4ccco4)n(-c4ccccc4)n3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.41
DRD2 P14416 6/20 0.41
HRH1 P35367 4/20 0.41
KCNH2 Q12809 3/20 0.41
HRH2 P25021 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
USP2 O75604 2/20 0.41
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
ADRA1A P35348 2/20 0.41
ABCB11 O95342 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD4 P21917 1/20 0.41
HTR7 P34969 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL4245576 0.95 ALDH1A1 (0.43) DRD3DRD2USP2DRD4CYP2D6
SCHEMBL4253374 0.88 MALT1 (0.48) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL5011452 0.87 CACNA1G (0.45) DRD2DRD4HTR7CACNA1GKDM4E
SCHEMBL13994813 0.84 MALT1 (0.47) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL5011575 0.84 DRD3 (0.44) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL4246622 0.83 DRD3 (0.47) DRD3DRD2HRH1KCNH2HRH2
SCHEMBL4250214 0.83 ALDH1A1 (0.47) KCNH2HTR7CACNA1GKDM4EALDH1A1
SCHEMBL4251285 0.83 CACNA1G (0.49) KCNH2HTR7CACNA1GKDM4EALDH1A1
SCHEMBL4249362 0.82 CACNA1G (0.49) DRD3DRD2DRD4CACNA1GMALT1
SCHEMBL4250460 0.82 MALT1 (0.47) DRD3DRD2HRH1KCNH2HRH2

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 680/4885DRD2 1498/4885HRH1 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.