SCHEMBL4249518

SCHEMBL4249518

Cc1cc(CNCCN2CCN(c3ccccc3F)CC2)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.44
HTR1A P08908 2/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
CACNA1G O43497 1/20 0.44
TP53 P04637 2/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
HTR7 P34969 2/20 0.42
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL4249570 0.88 SIGMAR1 (0.47) HTR1ACACNA1GDRD2DRD3HTR7
SCHEMBL4250528 0.87 CACNA1G (0.50) ADRA1AHTR1AADRA1DADRA1BCACNA1G
SCHEMBL4248323 0.87 DRD2 (0.47) ADRA1AHTR1AADRA1DADRA1BCACNA1G
SCHEMBL4248244 0.87 CACNA1G (0.51) ADRA1ACACNA1GTP53DRD2DRD3
SCHEMBL4248013 0.85 CACNA1G (0.48) ADRA1ACACNA1GDRD2DRD3HTR6
SCHEMBL4246044 0.85 CACNA1G (0.53) CACNA1GDRD2HTR7KMT2ADRD4
SCHEMBL5009526 0.82 DRD2 (0.53) HTR1ACACNA1GDRD2DRD3HTR7
SCHEMBL4246652 0.82 ADORA2A (0.42) ADRA1ACACNA1GDRD2DRD3KDM4E
SCHEMBL4255387 0.82 ALDH1A1 (0.59) ADRA1AHTR1ACACNA1GDRD3KMT2A
SCHEMBL4249575 0.81 ADRA1A (0.42) ADRA1AHTR1AADRA1DADRA1BCACNA1G

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 274/4885HTR1A 1924/4885ADRA1D 211/4885

“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.