SCHEMBL4492178

SCHEMBL4492178

CCCN(C(c1ccccc1)c1ccccc1)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRD1 P41143 6/20 0.43
SLC6A4 P31645 9/20 0.43
SLC6A2 P23975 8/20 0.43
OPRM1 P35372 2/20 0.40
KCNH2 Q12809 3/20 0.40
SLC6A3 Q01959 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CACNA1F O60840 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
OPRK1 P41145 1/20 0.38

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
SCHEMBL4494046 0.88 OPRD1 (0.48) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL14593471 0.71 SLC6A4 (0.57) OPRD1SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL27705053 0.69 OPRD1 (0.47) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL10411097 0.67 HTR2A (0.43) OPRD1SLC6A4SLC6A2OPRM1KCNH2
SCHEMBL17690743 0.67 KCNA5 (0.44) OPRD1SLC6A4SLC6A2OPRM1KCNH2
SCHEMBL10413788 0.67 SLC6A4 (0.69) MEN1KMT2AOPRD1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL29614224 0.67 SIGMAR1 (0.32) SIGMAR1
SCHEMBL7416028 0.67 TACR1 (0.44) SIGMAR1
SCHEMBL28884912 0.66 SIGMAR1 (0.42) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL3268419 0.66 SLC6A4 (0.68) MEN1KMT2AOPRD1SLC6A4SLC6A2

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 MEN1 2779/4885KMT2A 4312/4885OPRD1 174/4885

“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.