SCHEMBL4249575

SCHEMBL4249575

Fc1ccccc1N1CCN(CCNCc2cc(-c3ccc(N4CCCCC4)cc3)n(-c3ccccc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.42
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
CACNA1G O43497 4/20 0.40
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
KCNH2 Q12809 1/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD4 P21917 1/20 0.37

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
SCHEMBL4248323 0.92 DRD2 (0.47) ADRA1ADRD2DRD3CACNA1GHTR1A
SCHEMBL4248009 0.92 CACNA1G (0.43) DRD2CACNA1GKCNH2DRD4
SCHEMBL4245923 0.88 ADRA1A (0.39) ADRA1ADRD2DRD3CACNA1GHTR1A
SCHEMBL5009537 0.87 MALT1 (0.48) DRD2CACNA1GDRD4
SCHEMBL4250842 0.87 CACNA1G (0.47) ADRA1ADRD2DRD3CACNA1G
SCHEMBL4247029 0.85 CACNA1G (0.48) DRD2CACNA1GDRD4
SCHEMBL4250717 0.85 CACNA1G (0.49) DRD2CACNA1GHTR1ADRD4
SCHEMBL4249382 0.85 CACNA1G (0.48) DRD2CACNA1GHTR1AKCNH2
SCHEMBL4246047 0.84 HTR1A (0.45) DRD2DRD3HTR1APOLBSMN1; SMN2
SCHEMBL4246652 0.81 ADORA2A (0.42) ADRA1ADRD2DRD3CACNA1GPOLB

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 ADRA1A 274/4885DRD2 1498/4885DRD3 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.