SCHEMBL4252502

SCHEMBL4252502

CNCc1c(CCN2CCN(c3cccc(C)c3C)CC2)nn(-c2ccccc2)c1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 3/20 0.46
ADRA1A P35348 2/20 0.46
DRD3 P35462 1/20 0.46
HTR2A P28223 11/20 0.45
HTR2C P28335 11/20 0.45
SLC6A4 P31645 9/20 0.45
HTR1A P08908 2/20 0.44
SMO Q99835 1/20 0.44
DRD1 P21728 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR7 P34969 2/20 0.43
CACNA1G O43497 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
SCHEMBL4248979 0.90 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2DRD2
SCHEMBL4247769 0.86 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2DRD2
SCHEMBL4245608 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2DRD2
SCHEMBL4248244 0.71 CACNA1G (0.51) MEN1KMT2AALDH1A1SMN1; SMN2DRD2
SCHEMBL4251622 0.71 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2DRD2
SCHEMBL4248339 0.70 CACNA1G (0.57) MEN1KMT2AALDH1A1DRD2ADRA1A
SCHEMBL4252495 0.70 CACNA1G (0.53) MEN1KMT2AALDH1A1DRD2ADRA1A
SCHEMBL3231355 0.69 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2DRD2
SCHEMBL3219753 0.69 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2DRD2
SCHEMBL3231847 0.69 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2DRD2

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 MEN1 2779/4885KMT2A 4312/4885ALDH1A1 2701/4885

“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.