SCHEMBL9945957

SCHEMBL9945957

CC(C)Oc1ccc(C(C)C)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PDE2A O00408 1/20 0.38
LMNA P02545 1/20 0.36
CSNK2A1 P68400 2/20 0.36
TRPV3 Q8NET8 1/20 0.36
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
NAAA Q02083 1/20 0.35
P2RX3 P56373 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL25581212 0.86 PDE2A (0.37) PPARGPPARAPDE2ALMNATRPA1
SCHEMBL14804181 0.86 PDE2A (0.43) PPARGPPARAPDE2ALMNA
SCHEMBL12591809 0.85 NAAA (0.43) KCNQ3KCNQ2PPARGPPARATRPV3
SCHEMBL13877358 0.85 AKT1 (0.44) KCNQ3KCNQ2PPARGPPARAPDE2A
SCHEMBL16956971 0.85 KCNQ3 (0.37) KCNQ3KCNQ2PPARGPPARAPDE2A
SCHEMBL18888328 0.85 KCNQ3 (0.37) KCNQ3KCNQ2PPARGPPARAPDE2A
SCHEMBL10289791 0.84 LMNA (0.36) LMNACSNK2A1TRPA1PTGS1CACNA1C
Hydrochloric Acid SCHEMBL4229222 0.83 AKT1 (0.43) KCNQ3KCNQ2PPARGPPARAPDE2A
SCHEMBL21276094 0.82 ALDH1A1 (0.41) KCNQ3KCNQ2PPARGPPARAPDE2A
SCHEMBL20032393 0.82 KCNQ3 (0.36) KCNQ3KCNQ2PPARGPPARAPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 US disclosed
US-10882863-B2 Compounds for reducing c-Myc in c-Myc overexpressing cancers background THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-01-05 US disclosed
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
US-20190194212-A1 Compounds For Reducing c-Myc In c-Myc Overexpressing Cancers Background THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-06-27 US disclosed
US-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-7659294-B2 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as S1P receptor agonists MERCK & CO., INC. (US) 2010-02-09 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (12 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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 KCNQ3 50/4885KCNQ2 19/4885PPARG 1115/4885
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A KCNQ3 205/4885KCNQ2 99/4885PPARG 3291/4885
US-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS KCNQ3 4844/4885KCNQ2 4852/4885PPARG 450/4885
US-20190194212-A1 Compounds For Reducing c-Myc In c-Myc Overexpressing Cancers Background MYC, MYCBP, BCOR KCNQ3 3795/4885KCNQ2 3604/4885PPARG 3026/4885
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KCNQ3 4352/4885KCNQ2 4208/4885PPARG 1686/4885
US-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 KCNQ3 34/4885KCNQ2 14/4885PPARG 1649/4885
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 KCNQ3 1720/4885KCNQ2 1796/4885PPARG 74/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KCNQ3 4352/4885KCNQ2 4208/4885PPARG 1686/4885
US-10882863-B2 Compounds for reducing c-Myc in c-Myc overexpressing cancers background MYC, MYCBP, BCOR KCNQ3 3884/4885KCNQ2 3750/4885PPARG 3177/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 KCNQ3 95/4885KCNQ2 58/4885PPARG 550/4885
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists S1PR1, S1PR3, S1PR5 KCNQ3 3631/4885KCNQ2 3845/4885PPARG 851/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS KCNQ3 4844/4885KCNQ2 4852/4885PPARG 450/4885

“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.