SCHEMBL4246918

SCHEMBL4246918

CC(C)Cc1cc(CNCCN2CCN(c3ccccc3)CC2)n(C(C)(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 9/20 0.41
DRD2 P14416 3/20 0.39
DRD4 P21917 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR7 P34969 1/20 0.38
KCNH2 Q12809 2/20 0.37
CACNA1H O95180 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4245649 0.92 CACNA1G (0.41) CACNA1GDRD2DRD4SIGMAR1HTR7
SCHEMBL4249562 0.90 DRD2 (0.46) CACNA1GDRD2DRD4KCNH2
SCHEMBL4247746 0.89 DRD4 (0.46) CACNA1GDRD2DRD4HTR7HSD17B10
SCHEMBL4246518 0.87 CACNA1G (0.39) CACNA1GDRD2TP53
SCHEMBL4252469 0.83 CACNA1G (0.51) CACNA1GDRD2SIGMAR1
SCHEMBL5011504 0.82 DRD4 (0.47) CACNA1GDRD2DRD4
SCHEMBL4251621 0.82 DRD2 (0.46) CACNA1GDRD2DRD4HTR7KCNH2
SCHEMBL4251306 0.81 DRD4 (0.46) CACNA1GDRD2DRD4HTR7HSD17B10
SCHEMBL4249520 0.81 KCNH2 (0.53) CACNA1GDRD2SIGMAR1KCNH2CACNA1H
SCHEMBL4248063 0.79 CACNA1G (0.39) CACNA1GDRD2TP53

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 CACNA1G 2/4885DRD2 1498/4885DRD4 2079/4885

“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.