SCHEMBL4253374

SCHEMBL4253374

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 7/20 0.48
CACNA1G O43497 1/20 0.45
DRD3 P35462 6/20 0.45
DRD2 P14416 4/20 0.45
HRH1 P35367 3/20 0.45
KCNH2 Q12809 3/20 0.45
HRH2 P25021 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
USP2 O75604 2/20 0.45
CHRM2 P08172 2/20 0.45
ADRA2A P08913 2/20 0.45
ADRA1A P35348 2/20 0.45
ABCB11 O95342 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD4 P21917 1/20 0.45
HTR7 P34969 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR5A P47898 1/20 0.45

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
SCHEMBL4249362 0.94 CACNA1G (0.49) MALT1CACNA1GDRD3DRD2DRD4
SCHEMBL13994813 0.94 MALT1 (0.47) MALT1CACNA1GDRD3DRD2HRH1
SCHEMBL4250460 0.92 MALT1 (0.47) MALT1CACNA1GDRD3DRD2HRH1
SCHEMBL4246905 0.90 DRD2 (0.45) MALT1CACNA1GDRD3DRD2HRH1
SCHEMBL5011575 0.89 DRD3 (0.44) CACNA1GDRD3DRD2HRH1KCNH2
SCHEMBL4246622 0.88 DRD3 (0.47) CACNA1GDRD3DRD2HRH1KCNH2
SCHEMBL4248059 0.88 DRD3 (0.41) MALT1CACNA1GDRD3DRD2HRH1
SCHEMBL5011602 0.85 CACNA1G (0.52) MALT1CACNA1GDRD3DRD2DRD4
SCHEMBL4250707 0.85 CACNA1G (0.50) CACNA1GDRD3DRD2HRH1KCNH2
SCHEMBL4245552 0.85 HTR6 (0.47) CACNA1GDRD3DRD2HRH1KCNH2

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 6 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
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

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 MALT1 1362/4885CACNA1G 2/4885DRD3 680/4885

“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.