SCHEMBL2996737

SCHEMBL2996737

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
KDM4E B2RXH2 6/20 0.59
CYP2C9 P11712 4/20 0.59
HSD17B10 Q99714 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP3A4 P08684 3/20 0.59
CYP2C19 P33261 3/20 0.59
ADORA3 P0DMS8 3/20 0.59
TSHR P16473 3/20 0.59
CYP1A2 P05177 2/20 0.59
HIF1A Q16665 2/20 0.59
GAA P10253 2/20 0.59
NR1I2 O75469 2/20 0.59
LMNA P02545 2/20 0.59
PGR P06401 2/20 0.59
OPRK1 P41145 2/20 0.59
PDE4D Q08499 2/20 0.59

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
SCHEMBL11829270 0.95 CYP2C9 (0.67) MAPTNPSR1KDM4ECYP2C9HSD17B10
SCHEMBL11804731 0.92 MAPT (0.65) MAPTNPSR1KDM4ECYP2C9HSD17B10
SCHEMBL11522544 0.92 MAPT (0.65) MAPTNPSR1KDM4ECYP2C9HSD17B10
SCHEMBL11829351 0.92 NPSR1 (0.64) MAPTNPSR1KDM4ECYP2C9HSD17B10
SCHEMBL11670367 0.88 MAPT (0.59) MAPTNPSR1KDM4ECYP2C9HSD17B10
SCHEMBL3059360 0.86 KDM4E (0.64) MAPTNPSR1KDM4ECYP2C9HSD17B10
SCHEMBL3248414 0.85 MAPT (0.57) MAPTNPSR1KDM4ECYP2C9HSD17B10
SCHEMBL11814214 0.84 MAPT (0.58) MAPTNPSR1KDM4ECYP2C9HSD17B10
SCHEMBL11524212 0.84 MAPT (0.56) MAPTNPSR1KDM4ECYP2C9HSD17B10
SCHEMBL9835820 0.83 CA1 (0.64) MAPTNPSR1KDM4ECYP2C9HSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US claimed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US claimed
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 US claimed
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-10-14 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US disclosed
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed
US-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 EP 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 (4 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-20100261765-A1 MINERALOCORTICOID RECEPTOR MODULATORS NR3C2, MC2R, NR3C1 MAPT 3172/4885NPSR1 156/4885KDM4E 3139/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R MAPT 4314/4885NPSR1 1278/4885KDM4E 1088/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R MAPT 4314/4885NPSR1 1278/4885KDM4E 1088/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R MAPT 4314/4885NPSR1 1278/4885KDM4E 1088/4885

“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.