SCHEMBL4248244

SCHEMBL4248244

Cc1cccc(N2CCN(CCNCc3cc(C)n(-c4ccccc4)n3)CC2)c1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR2A P28223 5/20 0.47
HTR2C P28335 5/20 0.47
SLC6A4 P31645 5/20 0.47
DRD2 P14416 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTR7 P34969 1/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 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
SCHEMBL4252495 0.94 CACNA1G (0.53) CACNA1GMEN1KMT2AALDH1A1HTR2A
SCHEMBL4251622 0.91 MEN1 (0.52) CACNA1GMEN1KMT2AALDH1A1HTR2A
SCHEMBL4246632 0.89 CACNA1G (0.54) CACNA1GMEN1KMT2AALDH1A1HTR2A
SCHEMBL4248339 0.89 CACNA1G (0.57) CACNA1GMEN1KMT2AALDH1A1HTR2A
SCHEMBL4249570 0.87 SIGMAR1 (0.47) CACNA1GMEN1KMT2AALDH1A1HTR2A
SCHEMBL4245570 0.87 CACNA1G (0.47) CACNA1GMEN1KMT2AALDH1A1HTR2A
SCHEMBL4249518 0.87 ADRA1A (0.44) CACNA1GKMT2ADRD2ADRA1ADRD3
SCHEMBL4246044 0.86 CACNA1G (0.53) CACNA1GMEN1KMT2ADRD2HTR7
SCHEMBL4250693 0.85 CACNA1G (0.47) CACNA1GMEN1KMT2AALDH1A1HTR2A
SCHEMBL4250842 0.84 CACNA1G (0.47) CACNA1GMEN1KMT2AALDH1A1HTR2A

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 2/4885MEN1 2779/4885KMT2A 4312/4885

“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.