SCHEMBL4820083

SCHEMBL4820083

O=C(c1cnccn1)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.55
HSD17B10 Q99714 4/20 0.55
GAA P10253 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
USP2 O75604 3/20 0.52
HIF1A Q16665 2/20 0.52
CYP2C9 P11712 2/20 0.52
CASP1 P29466 1/20 0.52
CYP2D6 P10635 4/20 0.51
CYP1A2 P05177 3/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50

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
SCHEMBL8133145 0.84 CYP3A4 (0.59) CYP3A4HSD17B10GAAALDH1A1HPGD
SCHEMBL12442612 0.83 CYP3A4 (0.58) CYP3A4HSD17B10GAAALDH1A1HPGD
SCHEMBL31087166 0.83 CYP3A4 (0.58) CYP3A4HSD17B10GAAALDH1A1HPGD
SCHEMBL28254880 0.81 CYP3A4 (0.56) CYP3A4HSD17B10GAAALDH1A1HPGD
SCHEMBL2217005 0.80 SMN1; SMN2 (0.56) CYP3A4HSD17B10GAAALDH1A1HPGD
SCHEMBL13772554 0.80 CYP3A4 (0.63) CYP3A4HSD17B10GAAALDH1A1HPGD
SCHEMBL27490427 0.80 GAA (0.61) CYP3A4HSD17B10GAAALDH1A1HPGD
Ethylene SCHEMBL8381698 0.78 GAA (0.58) CYP3A4HSD17B10GAAALDH1A1HPGD
SCHEMBL15825669 0.78 CYP3A4 (0.53) CYP3A4HSD17B10GAAALDH1A1HPGD
SCHEMBL3758802 0.78 CYP3A4 (0.52) CYP3A4HSD17B10GAAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3127912-B1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF UNIV ZHEJIANG (CN) 2021-04-21 EP disclosed
US-9856288-B2 Tripeptide epoxyketone compound constructed by heterocycle and preparation method and use thereof ZHEJIANG UNIVERSITY (CN) 2018-01-02 US disclosed
EP-3127912-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF Zhejiang University (CN) 2017-02-08 EP disclosed
US-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA , CHINESE ACADEMY OF SCIENCES (CN) 2017-01-26 US disclosed
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
CN-101636398-A Pyridopyrimidinone compounds useful in treating sodium channel-mediated diseases or conditions XENON PHARMACEUTICALS INC 2010-01-27 CN disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF VIP, DNPEP, PREP CYP3A4 1016/4885HSD17B10 1011/4885GAA 2365/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 CYP3A4 1811/4885HSD17B10 3557/4885GAA 1477/4885

“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.