SCHEMBL17196816

SCHEMBL17196816

CC(C)(C)OC(=O)N1CC(COc2nc(Cl)ncc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
NR1H2 P55055 1/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
NAMPT P43490 1/20 0.40
KAT5 Q92993 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
JAK3 P52333 1/20 0.38
RBP4 P02753 1/20 0.37
SCN9A Q15858 1/20 0.37
POLB P06746 1/20 0.37
PIK3CD O00329 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL14230857 0.89 ALOX5AP (0.41) ALOX5APFEN1NR1H2SLC5A1SLC5A2
SCHEMBL17196754 0.84 PDCD1 (0.41) SLC5A1SLC5A2JAK3RBP4
SCHEMBL17196802 0.83 PIK3CD (0.46) STK17BSTK17APIK3CD
SCHEMBL14230928 0.81 ALOX5AP (0.45) ALOX5APFEN1GPR119SCN9APIK3CD
SCHEMBL14230926 0.81 ALOX5AP (0.45) ALOX5APFEN1GPR119SCN9APIK3CD
SCHEMBL15057297 0.80 STK17B (0.54) NR1H2STK17BSTK17ANAMPTKAT5
SCHEMBL4726744 0.78 GPR119 (0.50) ALOX5APFEN1GPR119SCN9A
SCHEMBL14230838 0.78 GPR119 (0.46) ALOX5APFEN1GPR119
SCHEMBL17196750 0.77 PIK3CD (0.55) PIK3CD
SCHEMBL16513296 0.77 PIK3CD (0.55) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144292-B1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (US) 2020-08-26 EP disclosed
US-9879008-B2 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-01-30 US disclosed
US-9879008-B2 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-01-30 US disclosed
EP-3144292-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) 2017-03-22 EP disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 US disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 US disclosed
WO-2015158233-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF 上海海雁医药科技有限公司 2015-10-22 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 (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-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF CYP4F11, CYP2D6, CYP4B1 ALOX5AP 1084/4885FEN1 3313/4885NR1H2 1846/4885

“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.