SCHEMBL6071015

SCHEMBL6071015

CC(NC(CC(=O)OC(C)(C)C)c1ccc2ccccc2n1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.36
CTSK P43235 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
S1PR3 Q99500 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX5AP P20292 1/20 0.36
ELANE P08246 1/20 0.36
CTRB1 P17538 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL6071145 0.89 TACR3 (0.44) GAAALDH1A1HSD17B10S1PR3CYP1A2
SCHEMBL6071205 0.85 ALDH1A1 (0.41) GAAALDH1A1HSD17B10S1PR3CYP1A2
SCHEMBL6561240 0.77 KDM4E (0.38) L3MBTL1ALDH1A1HSD17B10CYP1A2ELANE
SCHEMBL6070621 0.77 ALDH1A1 (0.42) GAAALDH1A1HSD17B10CYP1A2MEN1
SCHEMBL30915263 0.72 TSHR (0.41) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL16181766 0.70 ALDH1A1 (0.49) L3MBTL1CTSKALDH1A1KMT2A
SCHEMBL6071175 0.69 TACR3 (0.45) ALDH1A1HSD17B10RAB9AKMT2AKDM4E
SCHEMBL4858585 0.69 KCNA5 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL28859554 0.68 CTSK (0.53) CTSK
SCHEMBL6071021 0.68 KMT2A (0.37) L3MBTL1GAAALDH1A1CYP1A2ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
EP-1397136-A1 HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-03-17 EP disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 US disclosed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 WO 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 (2 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 L3MBTL1 4258/4885GAA 1733/4885CTSK 2187/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 L3MBTL1 3962/4885GAA 1402/4885CTSK 2137/4885

“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.