SCHEMBL4494055

SCHEMBL4494055

CC(N)N1CCNCC1C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.40
OPRD1 P41143 5/20 0.39
OPRM1 P35372 4/20 0.39
OPRK1 P41145 4/20 0.39
OPRL1 P41146 4/20 0.39
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MC4R P32245 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
HTR6 P50406 2/20 0.35

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
SCHEMBL4492193 0.86 TDP1 (0.41) MEN1KMT2ACYP2D6OPRD1OPRM1
SCHEMBL3919530 0.84 MEN1 (0.50) MEN1KMT2ACYP2D6OPRD1OPRM1
Hydrochloric Acid SCHEMBL6541247 0.78 MEN1 (0.42) MEN1KMT2ACYP2D6CHRM2CHRM1
Hydrochloric Acid SCHEMBL6540416 0.78 MEN1 (0.42) MEN1KMT2ACYP2D6CHRM2CHRM1
Hydrochloric Acid SCHEMBL6540563 0.78 MEN1 (0.42) MEN1KMT2ACYP2D6CHRM2CHRM1
SCHEMBL5683229 0.78 OPRM1 (0.40) MEN1KMT2ACYP2D6OPRD1OPRM1
SCHEMBL223160 0.77 DPP4 (0.30) DPP4DPP7
SCHEMBL28960292 0.76 MEN1 (0.43) MEN1KMT2ACYP2D6OPRD1CHRM2
SCHEMBL7110894 0.75 TDP1 (0.35) MEN1KMT2ACYP2D6OPRD1DPP4
SCHEMBL13169215 0.74 CYP2D6 (0.48) MEN1KMT2ACYP2D6OPRD1OPRM1

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 4312/4885CYP2D6 1325/4885

“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.