SCHEMBL4252495

SCHEMBL4252495

Cc1cccc(N2CCN(CCCNCc3cc(C)n(-c4ccccc4)n3)CC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.53
HTR2A P28223 12/20 0.50
HTR2C P28335 12/20 0.50
SLC6A4 P31645 11/20 0.50
DRD2 P14416 2/20 0.49
ADRA1A P35348 2/20 0.49
DRD3 P35462 2/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4248244 0.94 CACNA1G (0.51) CACNA1GHTR2AHTR2CSLC6A4DRD2
SCHEMBL4248972 0.89 CACNA1G (0.58) CACNA1GHTR2AHTR2CSLC6A4DRD2
SCHEMBL4251622 0.85 MEN1 (0.52) CACNA1GHTR2AHTR2CSLC6A4DRD2
SCHEMBL4246632 0.84 CACNA1G (0.54) CACNA1GHTR2AHTR2CSLC6A4DRD2
SCHEMBL4248339 0.83 CACNA1G (0.57) CACNA1GHTR2AHTR2CSLC6A4DRD2
SCHEMBL4245570 0.81 CACNA1G (0.47) CACNA1GHTR2AHTR2CSLC6A4DRD2
SCHEMBL4249570 0.81 SIGMAR1 (0.47) CACNA1GHTR2AHTR2CDRD2DRD3
SCHEMBL4249518 0.81 ADRA1A (0.44) CACNA1GDRD2ADRA1ADRD3KMT2A
SCHEMBL3300566 0.81 KMT2A (0.56) HTR2AHTR2CSLC6A4DRD2MEN1
SCHEMBL4251700 0.81 MAPT (0.42) HTR2AHTR2CSLC6A4MEN1ALDH1A1

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 2/4885HTR2A 3587/4885HTR2C 3302/4885

“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.