SCHEMBL4492193

SCHEMBL4492193

CCC(N)N1CCNCC1C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
OPRD1 P41143 7/20 0.37
OPRM1 P35372 5/20 0.37
OPRK1 P41145 5/20 0.37
OPRL1 P41146 5/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL4494055 0.86 MEN1 (0.40) TDP1DPP4DPP7OPRD1OPRM1
SCHEMBL3919530 0.80 MEN1 (0.50) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL224088 0.76 TDP1 (0.32) TDP1DPP4DPP7
Hydrochloric Acid SCHEMBL6541247 0.74 MEN1 (0.42) TDP1SLC6A2SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL6540416 0.74 MEN1 (0.42) TDP1SLC6A2SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL6540563 0.74 MEN1 (0.42) TDP1SLC6A2SLC6A4MEN1KMT2A
SCHEMBL5683229 0.74 OPRM1 (0.40) TDP1OPRD1OPRM1OPRK1OPRL1
SCHEMBL7110894 0.74 TDP1 (0.35) TDP1DPP4DPP7OPRD1SLC6A2
SCHEMBL3095736 0.73 DPP4 (0.38) TDP1DPP4
SCHEMBL28960292 0.72 MEN1 (0.43) TDP1OPRD1SLC6A2SLC6A4MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TDP1 2914/4885DPP4 1852/4885DPP7 1966/4885

“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.