SCHEMBL4250285

SCHEMBL4250285

COc1ccc(N2CCN(CCNCc3cc(-c4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.55
DRD4 P21917 9/20 0.55
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SOD1 P00441 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
PMP22 Q01453 1/20 0.44
CACNA1G O43497 1/20 0.44
PTGS2 P35354 1/20 0.42

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
SCHEMBL4246647 0.92 DRD2 (0.45) DRD2DRD4LMNASMN1; SMN2MEN1
SCHEMBL13994807 0.90 DRD4 (0.46) DRD2DRD4LMNAMAPTCACNA1G
SCHEMBL4255404 0.89 CACNA1G (0.47) DRD2DRD4LMNAKMT2AMAPT
SCHEMBL3226346 0.86 DRD2 (0.50) DRD2DRD4LMNASMN1; SMN2SOD1
SCHEMBL3231817 0.86 DRD2 (0.50) DRD2DRD4LMNASMN1; SMN2SOD1
SCHEMBL4250429 0.85 KMT2A (0.46) DRD2DRD4LMNASMN1; SMN2MEN1
SCHEMBL3228750 0.81 HSD17B10 (0.51) DRD2DRD4SMN1; SMN2MEN1KMT2A
SCHEMBL4252512 0.81 CACNA1G (0.51) DRD2DRD4LMNASMN1; SMN2MEN1
SCHEMBL4245603 0.81 CACNA1G (0.43) DRD2DRD4MAPTCACNA1G
SCHEMBL4248054 0.80 CACNA1G (0.45) DRD2DRD4LMNASMN1; SMN2MAPT

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 1498/4885DRD4 2079/4885LMNA 1425/4885

“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.