SCHEMBL4752597

SCHEMBL4752597

CC1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.54
CTSK P43235 2/20 0.50
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
GAA P10253 2/20 0.49
EPHX1 P07099 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
DRD2 P14416 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
EPHX2 P34913 1/20 0.43
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8380341 1.00 BTK (0.54) BTKCTSKKDM1AMAOBGAA
SCHEMBL12350708 1.00 BTK (0.54) BTKCTSKKDM1AMAOBGAA
Bicarbonate SCHEMBL6997389 0.96 BTK (0.55) BTKCTSKKDM1AMAOBGAA
SCHEMBL23136110 0.93 BTK (0.60) BTKCTSKKDM1AMAOBGAA
SCHEMBL3702152 0.92 BTK (0.61) BTKCTSKKDM1AMAOBGAA
SCHEMBL1406894 0.92 BTK (0.61) BTKCTSKKDM1AMAOBGAA
SCHEMBL10343938 0.92 BTK (0.61) BTKCTSKKDM1AMAOBGAA
SCHEMBL3702157 0.92 BTK (0.61) BTKCTSKKDM1AMAOBGAA
Methyl Alcohol SCHEMBL28082230 0.90 BTK (0.59) BTKCTSKKDM1AMAOBGAA
SCHEMBL12384778 0.89 BTK (0.59) BTKCTSKKDM1AMAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
WO-2023178181-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-09-21 WO disclosed
EP-4245756-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF Gilead Sciences, Inc. (US) 2023-09-20 EP disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
EP-3792263-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE DERIVATIVES SERVING AS SELECTIVE HER2 INHIBITORS AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2021-03-17 EP disclosed
EP-3738954-A1 METHOD OF PREPARATION OF SUBSTITUTED 2,4-DIAMINO-PYRIMIDINE-5-CARBOXAMIDES Signal Pharmaceuticals, LLC (US) 2020-11-18 EP disclosed
EP-3736279-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME Yale University (US) 2020-11-11 EP disclosed
CN-111499580-A Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2020-08-07 CN disclosed
EP-3099302-B1 CRYSTALLINE FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed
US-20190152893-A1 METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYLCYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN CELGENE CORP (US) 2019-05-23 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
US-7262206-B2 Cycloalkyl—containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-28 US disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 WO disclosed
EP-0772590-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-10-09 EP disclosed
US-5714485-A Piperidine and hexahydropyridazine thrombin inhibitors MERCK & CO., INC. (US) 1998-02-03 US disclosed
US-5510369-A ANTICOAGULANTS MERCK & CO., INC. (US) 1996-04-23 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 (5 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 BTK 3509/4885CTSK 1287/4885KDM1A 2867/4885
US-20190152893-A1 METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYLCYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN MAPKAPK2, CYP11B2, MAP3K8 BTK 4413/4885CTSK 3686/4885KDM1A 3142/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 BTK 2045/4885CTSK 356/4885KDM1A 4138/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO BTK 2857/4885CTSK 434/4885KDM1A 2408/4885
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF IRAK4, FLT3, IRAK2 BTK 18/4885CTSK 2215/4885KDM1A 2300/4885

“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.