SCHEMBL4248323

SCHEMBL4248323

Fc1ccccc1N1CCN(CCNCc2cc(-c3ccccc3)n(-c3ccccc3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
ADRA1A P35348 4/20 0.47
DRD3 P35462 4/20 0.47
CACNA1G O43497 3/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
CACNA1H O95180 1/20 0.41
DRD4 P21917 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL4249575 0.92 ADRA1A (0.42) DRD2ADRA1ADRD3CACNA1GHTR1A
SCHEMBL4245923 0.89 ADRA1A (0.39) DRD2ADRA1ADRD3CACNA1GHTR1A
SCHEMBL4249382 0.88 CACNA1G (0.48) DRD2CACNA1GHTR1ACNR1CNR2
SCHEMBL4246652 0.87 ADORA2A (0.42) DRD2ADRA1ADRD3CACNA1GDRD4
SCHEMBL4249518 0.87 ADRA1A (0.44) DRD2ADRA1ADRD3CACNA1GHTR1A
SCHEMBL4246632 0.85 CACNA1G (0.54) DRD2ADRA1ADRD3CACNA1GALDH1A1
SCHEMBL3237568 0.85 CNR1 (0.53) DRD2ADRA1ADRD3CACNA1GHTR1A
SCHEMBL4250528 0.84 CACNA1G (0.50) DRD2ADRA1ADRD3CACNA1GHTR1A
SCHEMBL4246030 0.83 CACNA1G (0.55) DRD2CACNA1GDRD4CNR1CNR2
SCHEMBL5011602 0.83 CACNA1G (0.52) DRD2DRD3CACNA1GDRD4

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 DRD2 1498/4885ADRA1A 274/4885DRD3 680/4885

“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.