SCHEMBL4245875

SCHEMBL4245875

Cc1ccc(N2CCN(CCNCc3cc(CC(C)C)n(C(C)(C)C)n3)CC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.46
HTR1A P08908 1/20 0.37
IGF1R P08069 1/20 0.36
HTR7 P34969 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
GSK3B P49841 1/20 0.34
DRD2 P14416 4/20 0.34
DRD4 P21917 2/20 0.34

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
SCHEMBL4249579 0.88 CACNA1G (0.53) CACNA1GHTR1AIGF1RHTR7HTR2A
SCHEMBL4244788 0.86 CACNA1G (0.44) CACNA1GHTR1AHTR2AHTR2CSLC6A4
SCHEMBL4245095 0.84 CACNA1G (0.49) CACNA1GHTR7
SCHEMBL4248063 0.83 CACNA1G (0.39) CACNA1GHTR1AHTR2ADRD2
SCHEMBL4250494 0.83 CACNA1G (0.47) CACNA1GHTR1AIGF1RHTR7HTR2A
SCHEMBL4245649 0.83 CACNA1G (0.41) CACNA1GHTR7DRD2DRD4
SCHEMBL5011504 0.81 DRD4 (0.47) CACNA1GDRD2DRD4
SCHEMBL4248054 0.80 CACNA1G (0.45) CACNA1GHTR1AHTR2AHTR2CSLC6A4
SCHEMBL4251306 0.80 DRD4 (0.46) CACNA1GHTR1AHTR7DRD2DRD4
SCHEMBL4251621 0.79 DRD2 (0.46) CACNA1GHTR1AHTR7HTR2ASLC6A4

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 2/4885HTR1A 1924/4885IGF1R 4123/4885

“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.