SCHEMBL5040244

SCHEMBL5040244

Cc1ccc(Cc2cc3c(cc2C)C(C)(C)CCC3(C)C)o1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 19/20 0.57
FPR1 P21462 1/20 0.51
GPR183 P32249 1/20 0.51
GPR119 Q8TDV5 1/20 0.51
RXRA P19793 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
SCHEMBL2624368 0.84 GNRHR (0.54) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL5764978 0.81 GNRHR (0.72) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL5835120 0.80 GNRHR (0.67) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL5834348 0.78 GNRHR (0.68) GNRHRFPR1GPR183GPR119
SCHEMBL6226419 0.72 GNRHR (0.68) GNRHRFPR1GPR183GPR119
SCHEMBL22001266 0.71 RXRA (0.54) GNRHRRXRA
SCHEMBL14068113 0.71 RXRA (0.66) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL13843156 0.71 RXRA (0.66) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL24441357 0.71 GNRHR (0.63) GNRHRFPR1GPR183GPR119
SCHEMBL8529655 0.70 RXRA (0.49) GNRHRRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8163908-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-8093401-B2 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-03 US disclosed
US-8044198-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110113498-A1 SIRT1 POLYMORPHIC VARIANTS AND METHODS OF USE THEREOF UNIVERSITY OF ZURICH (CH) 2011-05-12 US disclosed
US-7855289-B2 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
US-7345178-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (10 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-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 GNRHR 2515/4885FPR1 2765/4885GPR183 3954/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 GNRHR 2515/4885FPR1 2765/4885GPR183 3954/4885
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 GNRHR 3625/4885FPR1 3413/4885GPR183 4676/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B GNRHR 2499/4885FPR1 1595/4885GPR183 3869/4885
US-20110113498-A1 SIRT1 POLYMORPHIC VARIANTS AND METHODS OF USE THEREOF SIRT1, SIRT3, SIRT7 GNRHR 634/4885FPR1 3787/4885GPR183 1683/4885
US-20110269817-A1 COMPOSITIONS AND METHODS RELATED TO SIRT1 FUNCTION CRY1, PER2, SIRT1 GNRHR 1454/4885FPR1 1791/4885GPR183 2731/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 GNRHR 2181/4885FPR1 3515/4885GPR183 4312/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 GNRHR 3165/4885FPR1 3753/4885GPR183 4514/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 GNRHR 2515/4885FPR1 2765/4885GPR183 3954/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 GNRHR 2386/4885FPR1 3068/4885GPR183 3954/4885

“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.