SCHEMBL4245552

SCHEMBL4245552

CC(C)Cc1cc(CNCCN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)nn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.47
KCNH2 Q12809 8/20 0.46
CACNA1G O43497 7/20 0.46
CACNA1H O95180 5/20 0.46
CHRM2 P08172 3/20 0.43
ADRA2A P08913 3/20 0.43
ADRA1A P35348 3/20 0.43
DRD3 P35462 3/20 0.43
CHRM1 P11229 2/20 0.43
DRD1 P21728 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
HTR1A P08908 1/20 0.43
BCL2 P10415 1/20 0.43
TBXA2R P21731 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP2D6 P10635 3/20 0.43
DRD2 P14416 2/20 0.43
ADRA2C P18825 2/20 0.43

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
SCHEMBL4256059 0.95 CACNA1G (0.50) HTR6KCNH2CACNA1GCACNA1H
SCHEMBL4250707 0.90 CACNA1G (0.50) HTR6KCNH2CACNA1GCHRM2ADRA2A
SCHEMBL5011444 0.87 HTR6 (0.50) HTR6KCNH2CACNA1GCACNA1HDRD2
SCHEMBL4246622 0.87 DRD3 (0.47) HTR6KCNH2CACNA1GCHRM2ADRA2A
SCHEMBL4245546 0.87 KCNH2 (0.44) HTR6KCNH2CACNA1GCHRM2ADRA2A
SCHEMBL4253374 0.85 MALT1 (0.48) HTR6KCNH2CACNA1GCHRM2ADRA2A
SCHEMBL4248682 0.84 CACNA1G (0.55) CACNA1GHTR2AOPRM1
SCHEMBL4249520 0.83 KCNH2 (0.53) HTR6KCNH2CACNA1GCACNA1HDRD2
SCHEMBL4249403 0.83 HTR6 (0.58) HTR6KCNH2CACNA1GCACNA1H
SCHEMBL13994813 0.83 MALT1 (0.47) KCNH2CACNA1GCHRM2ADRA2AADRA1A

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 HTR6 3576/4885KCNH2 31/4885CACNA1G 2/4885

“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.