SCHEMBL3497159

SCHEMBL3497159

CCN1C(=O)CC(C)(C)c2cc(C)c(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.50
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CPT1A P50416 1/20 0.33

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
SCHEMBL3496357 0.94 RXRA (0.47) RXRAHDAC1HDAC6
SCHEMBL3497772 0.89 RXRA (0.46) RXRAHDAC1HDAC6
SCHEMBL3497585 0.84 RXRA (0.50) RXRAHDAC1HDAC6
SCHEMBL3496398 0.81 RXRA (0.41) RXRAHDAC1HDAC6
SCHEMBL2240027 0.80 RXRA (0.36) RXRAHDAC1HDAC6
SCHEMBL3496725 0.80 RXRA (0.51) RXRA
SCHEMBL5189901 0.78 RXRA (0.45) RXRAHDAC1HDAC6
SCHEMBL3496914 0.77 RXRA (0.47) RXRAHDAC1HDAC6
SCHEMBL3497154 0.77 RXRA (0.45) RXRAHDAC1HDAC6CPT1A
SCHEMBL3497569 0.75 RXRA (0.56) RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236819-B2 Dihydro-[1H]-quinolin-2-one derivatives as RXR agonists for the treatment of dyslipidemia, hypercholesterolemia and diabetes JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-07 US disclosed
US-20100105728-A1 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES LAGU BHARAT 2010-04-29 US disclosed
US-7638533-B2 3-[3-(1-Ethyl-4,4,6-trimethyl-2-oxo- 1,2,3,4-tetrahydro-quinolin-7-yl)-4- (2,2,2-trifluoro-ethoxy)-phenyl]- acrylic acid;Retinoid X Receptor (RXR) agonists useful for treating the onset of cancer and metabolic disorders such as diabetes, dyslipidemia, and hypercholesterolemia JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 US disclosed
US-7265139-B2 RXR activating molecules INCYTE SAN DIEGO INC. (US) 2007-09-04 US disclosed
US-20070078160-A1 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-05 US disclosed
US-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases PFAHL MAGNUS 2006-10-26 US disclosed
US-7102000-B2 Heterocyclic amide derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2006-09-05 US disclosed
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases PFAHL MAGNUS 2006-07-20 US disclosed
US-7071218-B2 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases INCYTE SAN DIEGO INCORPORATED (US) 2006-07-04 US disclosed
EP-1487443-A4 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-12 EP disclosed
EP-1456187-A4 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2005-02-09 EP disclosed
EP-1487443-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-12-22 EP disclosed
EP-1456187-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-09-15 EP disclosed
EP-1377559-A2 RXR ACTIVATING MOLECULES Maxia Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2003-11-20 US disclosed
WO-2003075924-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 WO disclosed
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2003-07-31 US disclosed
US-20030105333-A1 RXR activating molecules MAXIA PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003043998-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-05-30 WO disclosed
WO-2002072543-A2 RXR ACTIVATING MOLECULES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 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 (7 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-20030105333-A1 RXR activating molecules RXRG, RXRB, RXRA RXRA 3/4885HDAC1 570/4885HDAC6 1714/4885
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP RXRA 817/4885HDAC1 886/4885HDAC6 1636/4885
US-20070078160-A1 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES NR1H2, RXRA, NR1H3 RXRA 2/4885HDAC1 1161/4885HDAC6 2715/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP RXRA 778/4885HDAC1 966/4885HDAC6 1615/4885
US-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases HDAC5, KAT5, IGFBP5 RXRA 829/4885HDAC1 86/4885HDAC6 216/4885
US-20100105728-A1 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES NR1H2, RXRA, NR1H3 RXRA 2/4885HDAC1 1161/4885HDAC6 2715/4885
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases GCKR, HDAC5, GPR119 RXRA 955/4885HDAC1 23/4885HDAC6 213/4885

“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.