SCHEMBL4089646

SCHEMBL4089646

CCOC(=O)C(C)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
CHRNA1 P02708 3/20 0.39
CHRNG P07510 3/20 0.39
CHRNB1 P11230 3/20 0.39
CHRNB2 P17787 3/20 0.39
SLC6A2 P23975 3/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA4 P43681 3/20 0.39
SLC6A3 Q01959 3/20 0.39
CHRND Q07001 3/20 0.39

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
SCHEMBL28201107 1.00 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL2961890 0.98 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL3898658 0.96 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL6129180 0.91 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL27793003 0.82 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL7297454 0.82 ALDH1A1 (0.65) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL16496970 0.82 KDM4E (0.46) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL2110264 0.82 SIGMAR1 (0.42) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL3358932 0.82 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL3353702 0.82 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104662004-B Novel rebamipide prodrug, method for producing same, and usage thereof 三进制药株式会社 2017-04-19 CN claimed
US-10766882-B2 1,2-naphthoquinone based derivative and method of preparing the same YUNGJIN PHARM CO., LTD. (KR) 2020-09-08 US disclosed
US-9975883-B2 1,2-naphthoquinone based derivative and method of preparing the same YUNGJIN PHARM. CO., LTD. (KR) 2018-05-22 US disclosed
US-9975883-B2 1,2-naphthoquinone based derivative and method of preparing the same YUNGJIN PHARM. CO., LTD. (KR) 2018-05-22 US disclosed
CN-107759503-A A kind of tetracycline derivant and application thereof 四川科伦博泰生物医药股份有限公司 2018-03-06 CN disclosed
US-20160376258-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME KT&G LIFE SCIENCES CORPORATION (KR) 2016-12-29 US disclosed
WO-2015102371-A1 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME 주식회사 케이티앤지생명과학 2015-07-09 WO disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-6977303-B2 Highly enantiomerically pure lactam-substituted propanoic acid derivatives and methods of making and using same EASTMAN CHEMICAL COMPANY (US) 2005-12-20 US disclosed
US-20050171082-A1 Highly enantiomerically pure lactam-substituted propanoic acid derivatives and methods of making and using same JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2005-08-04 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO disclosed
US-6897323-B2 Highly enantiomerically pure lactam-substituted propanoic acid derivatives and methods of making and using same EASTMAN CHEMICAL COMPANY (US) 2005-05-24 US disclosed
US-20040106593-A1 Highly enantiomerically pure lactam-substituted propanoic acid derivatives and methods of making and using same JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2004-06-03 US disclosed
US-20040106788-A1 Highly enantiomerically pure lactam-substituted propanoic acid derivatives and methods of making and using same JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2004-06-03 US disclosed
US-6686477-B2 MULTISTEP CHEMICAL SYNTHESIS, INCLUDING ASYMMETRIC HYDROGENATION OF A LACTAM-ENAMIDE TO PRODUCE AN INTERMEDIATE THAT CAN BE USED TO MAKE UNSPECIFIED PHARMACEUTICALS EASTMAN CHEMICAL COMPANY 2004-02-03 US disclosed
EP-1322609-A2 HIGHLY ENANTIOMERICALLY PURE LACTAM-SUBSTITUTED PROPANOIC ACID DERIVATIVES AND THEIR PREPARATION EASTMAN CHEMICAL COMPANY (US) 2003-07-02 EP disclosed
US-20020042508-A1 Highly enantiomerically pure lactam-substituted propanoic acid derivatives and methods of making and using same JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2002-04-11 US disclosed
WO-2002026705-A2 HIGHLY ENANTIOMERICALLY PURE LACTAM-SUBSTITUTED PROPANOIC ACID DERIVATIVES AND THEIR PREPARATION EASTMAN CHEMICAL COMPANY (US) 2002-04-04 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-20020042508-A1 Highly enantiomerically pure lactam-substituted propanoic acid derivatives and methods of making and using same COASY, ACSL4, ACSL1 ALDH1A1 804/4885MAPT 3373/4885NPSR1 2052/4885
US-10766882-B2 1,2-naphthoquinone based derivative and method of preparing the same CYP2S1, GYS2, SLC5A1 ALDH1A1 688/4885MAPT 141/4885NPSR1 1141/4885
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 ALDH1A1 2494/4885MAPT 4176/4885NPSR1 222/4885
US-20160376258-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME CYP2S1, GYS2, SLC5A1 ALDH1A1 688/4885MAPT 141/4885NPSR1 1141/4885
US-20050171082-A1 Highly enantiomerically pure lactam-substituted propanoic acid derivatives and methods of making and using same COASY, ACSL4, ACSL1 ALDH1A1 804/4885MAPT 3373/4885NPSR1 2052/4885
US-20040106788-A1 Highly enantiomerically pure lactam-substituted propanoic acid derivatives and methods of making and using same COASY, ACSL4, ACSL1 ALDH1A1 804/4885MAPT 3373/4885NPSR1 2052/4885
US-20040106593-A1 Highly enantiomerically pure lactam-substituted propanoic acid derivatives and methods of making and using same COASY, ACSL4, ACSL1 ALDH1A1 804/4885MAPT 3373/4885NPSR1 2052/4885

“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.