SCHEMBL3295142

SCHEMBL3295142

CC(C)(C)OC(=O)C1(N)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
DGAT1 O75907 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL21064053 0.98 TSHR (0.35) MAPK1NPSR1TSHRCYP2C19CYP4F2
SCHEMBL18361332 0.98 TSHR (0.35) MAPK1NPSR1TSHRCYP2C19CYP4F2
SCHEMBL21064071 0.98 TSHR (0.35) MAPK1NPSR1TSHRCYP2C19CYP4F2
SCHEMBL18361370 0.98 TSHR (0.35) MAPK1NPSR1TSHRCYP2C19CYP4F2
SCHEMBL22874559 0.98 TSHR (0.35) MAPK1NPSR1TSHRCYP2C19CYP4F2
SCHEMBL3296871 0.98 TSHR (0.35) MAPK1NPSR1TSHRCYP2C19CYP4F2
SCHEMBL4499031 0.96 MAPK1 (0.33) MAPK1CYP4F2CYP4A11DGAT1GRIN2B
Formic Acid SCHEMBL27634168 0.92 GRIN2B (0.31) GRIN2BGRIN2C
SCHEMBL2312894 0.91 MAPK1 (0.34) MAPK1CYP4F2CYP4A11DGAT1
Formic Acid SCHEMBL27546066 0.91 TSHR (0.31) TSHRCYP2C19GRIN2BGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
US-20140088159-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2014-03-27 US disclosed
US-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
CN-101959534-B Enzyme and receptor modulation CHROMA THERAPEUTICS LTD 2013-11-27 CN disclosed
US-6479518-B2 PSYCHOLOGICAL DISORDERS MERCK & CO., INC. 2002-11-12 US disclosed
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-08-29 US disclosed
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists MERCK & CO., INC. 2002-04-11 US disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
WO-2002024629-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-28 WO disclosed
US-6358979-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-03-19 US disclosed
US-20020016492-A1 Process for preparing 3-hydroxymethyl-4-(aryl or heterocyclic)-cyclopentanones MERCK SHARP & DOHME CORP. 2002-02-07 US disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
EP-0495822-A1 CARBOXYALKYL DIPEPTIDE INHIBITORS OF ENDOPEPTIDASES SCHERING CORPORATION (US) 1992-07-29 EP disclosed
WO-1991005796-A1 CARBOXYALKYL DIPEPTIDE INHIBITORS OF ENDOPEPTIDASES SCHERING CORPORATION (US) 1991-05-02 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 (6 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-20140088159-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 MAPK1 3518/4885NPSR1 366/4885TSHR 549/4885
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists NPY5R, NPY1R, NPY2R MAPK1 1015/4885NPSR1 4/4885TSHR 241/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 MAPK1 3518/4885NPSR1 366/4885TSHR 549/4885
US-20020016492-A1 Process for preparing 3-hydroxymethyl-4-(aryl or heterocyclic)-cyclopentanones CCR1, CCR5, CCR6 MAPK1 2014/4885NPSR1 770/4885TSHR 4586/4885
US-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS STS, SCLY, TST MAPK1 1454/4885NPSR1 1683/4885TSHR 3078/4885
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity CCR1, CCR3, CCR5 MAPK1 1496/4885NPSR1 97/4885TSHR 763/4885

“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.