SCHEMBL2995373

SCHEMBL2995373

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1Br

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.59
KDM4E B2RXH2 8/20 0.58
CYP2C9 P11712 4/20 0.58
HSD17B10 Q99714 4/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C19 P33261 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 3/20 0.58
LMNA P02545 3/20 0.58
CYP1A2 P05177 2/20 0.58
HIF1A Q16665 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
TSHR P16473 2/20 0.58
NR1I2 O75469 2/20 0.58
PGR P06401 2/20 0.58
OPRK1 P41145 2/20 0.58
PDE4D Q08499 2/20 0.58
HPGD P15428 2/20 0.58

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
SCHEMBL3034394 0.95 ADORA3 (0.68) ADORA3KDM4ECYP2C9HSD17B10ALDH1A1
SCHEMBL9680602 0.87 TBXA2R (0.48) ADORA3KDM4ECYP2C9HSD17B10ALDH1A1
SCHEMBL7343550 0.86 ADORA3 (0.58) ADORA3KDM4ECYP2C9HSD17B10ALDH1A1
SCHEMBL8225874 0.86 CACNA1F (0.51) ADORA3KDM4ECYP2C9HSD17B10ALDH1A1
SCHEMBL3027420 0.85 CYP2C9 (0.63) ADORA3KDM4ECYP2C9HSD17B10ALDH1A1
SCHEMBL29676356 0.85 CYP2C9 (0.63) ADORA3KDM4ECYP2C9HSD17B10ALDH1A1
SCHEMBL9835820 0.85 CA1 (0.64) ADORA3KDM4ECYP2C9HSD17B10ALDH1A1
SCHEMBL11094994 0.84 CA1 (0.64) ADORA3KDM4ECYP2C9HSD17B10ALDH1A1
SCHEMBL10660322 0.84 ADORA3 (0.60) ADORA3KDM4ECYP2C9HSD17B10ALDH1A1
SCHEMBL3017208 0.83 CYP2C9 (0.73) ADORA3KDM4ECYP2C9HSD17B10ALDH1A1

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 25 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-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-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 US disclosed
US-3956341-A 1,3,5-Tricarbo-1,4-dihydropyridines SMITHKLINE CORPORATION (US) 1976-05-11 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 (9 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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ADORA3 560/4885KDM4E 4759/4885CYP2C9 4440/4885
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ADORA3 829/4885KDM4E 1088/4885CYP2C9 168/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ADORA3 560/4885KDM4E 4759/4885CYP2C9 4440/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ADORA3 560/4885KDM4E 4759/4885CYP2C9 4440/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ADORA3 560/4885KDM4E 4759/4885CYP2C9 4440/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ADORA3 829/4885KDM4E 1088/4885CYP2C9 168/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ADORA3 829/4885KDM4E 1088/4885CYP2C9 168/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ADORA3 560/4885KDM4E 4759/4885CYP2C9 4440/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ADORA3 560/4885KDM4E 4759/4885CYP2C9 4440/4885

“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.