SCHEMBL623497

SCHEMBL623497

CCNC(=O)CC[C@H](N)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
FAAH O00519 1/20 0.41
NOD1 Q9Y239 6/20 0.41
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MCL1 Q07820 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 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
SCHEMBL14281128 1.00 LTA4H (0.45) LTA4HFAAHNOD1ALDH1A1CA1
SCHEMBL8653509 0.89 FAAH (0.41) LTA4HFAAHNOD1ALDH1A1MMP2
SCHEMBL29783052 0.87 NOD1 (0.48) LTA4HFAAHNOD1ALDH1A1
SCHEMBL16976936 0.87 NOD1 (0.48) LTA4HFAAHNOD1ALDH1A1
SCHEMBL4450429 0.87 NOD1 (0.48) LTA4HFAAHNOD1ALDH1A1
Hydrochloric Acid SCHEMBL29783202 0.86 NOD1 (0.47) LTA4HFAAHNOD1ALDH1A1
Hydrochloric Acid SCHEMBL29783043 0.86 NOD1 (0.47) LTA4HFAAHNOD1ALDH1A1
SCHEMBL5325285 0.84 NOD1 (0.39) LTA4HFAAHNOD1ALDH1A1MMP2
SCHEMBL6782544 0.83 LTA4H (0.47) LTA4HFAAHNOD1ALDH1A1
SCHEMBL16381809 0.82 LTA4H (0.46) LTA4HFAAHNOD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103690529-A Application of methyl coumarin-3-carboxylyl L-theanine and the like in preparation of product used for preventing and treating disease such as cancers UNIV YANTAI 2014-04-02 CN claimed
EP-2902388-B1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, INTERMEDIATE OF THE CONDENSATION PRODUCT, METHOD FOR PREPARING SAME, AND USE THEREOF SHANDONG YINGDONG YINGHAO BIOTECHNOLOGY INC (CN) 2019-03-13 EP disclosed
US-9518038-B2 Condensation product of theanine derivative and carboxylic acid coumarin derivative, its intermediate, preparation method and use thereof SHANDONG YINGDONG YINGHAO BIOTECHNOLOGY, INC. (CN) 2016-12-13 US disclosed
US-9518038-B2 Condensation product of theanine derivative and carboxylic acid coumarin derivative, its intermediate, preparation method and use thereof SHANDONG YINGDONG YINGHAO BIOTECHNOLOGY, INC. (CN) 2016-12-13 US disclosed
US-9518038-B2 Condensation product of theanine derivative and carboxylic acid coumarin derivative, its intermediate, preparation method and use thereof SHANDONG YINGDONG YINGHAO BIOTECHNOLOGY, INC. (CN) 2016-12-13 US disclosed
US-20150239861-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF ZHANG, GUOYING (CN) 2015-08-27 US disclosed
US-20150239861-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF ZHANG, GUOYING (CN) 2015-08-27 US disclosed
US-20150239861-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF ZHANG, GUOYING (CN) 2015-08-27 US disclosed
EP-2902388-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, INTERMEDIATE OF THE CONDENSATION PRODUCT, METHOD FOR PREPARING SAME, AND USE THEREOF Yantai University (CN) 2015-08-05 EP disclosed
EP-2902388-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, INTERMEDIATE OF THE CONDENSATION PRODUCT, METHOD FOR PREPARING SAME, AND USE THEREOF Yantai University (CN) 2015-08-05 EP disclosed
CN-103052634-B Theanine derivatives, their preparation and use for alleviating acne AMOREPACIFIC CORP 2014-12-31 CN disclosed
EP-2604605-B1 THEANINE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF FOR ALLEVIATING ACNE AMOREPACIFIC CORP (KR) 2014-12-24 EP disclosed
CN-104144919-A CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, INTERMEDIATE OF THE CONDENSATION PRODUCT, METHOD FOR PREPARING SAME, AND USE THEREOF WUWEI COUNTY MARINE BIOTECHNOLOGY CO LTD 2014-11-12 CN disclosed
CN-103690529-A Application of methyl coumarin-3-carboxylyl L-theanine and the like in preparation of product used for preventing and treating disease such as cancers UNIV YANTAI 2014-04-02 CN disclosed
US-8557793-B2 Theanine derivative, preparation method thereof, and use thereof for alleviating acne AMOREPACIFIC CORPORATION (KR) 2013-10-15 US disclosed
EP-2604605-A2 THEANINE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF FOR ALLEVIATING ACNE Amorepacific Corporation (KR) 2013-06-19 EP disclosed
US-20130137653-A1 THEANINE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF FOR ALLEVIATING ACNE AMOREPACIFIC CORPORATION (KR) 2013-05-30 US disclosed
CN-103052634-A Theanine derivatives, their preparation and use for alleviating acne AMOREPACIFIC CORP 2013-04-17 CN disclosed
WO-2012020966-A2 THEANINE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF FOR ALLEVIATING ACNE (주)아모레퍼시픽 (KR) 2012-02-16 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 (2 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-20130137653-A1 THEANINE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF FOR ALLEVIATING ACNE CUTA, NOTUM, HAGH LTA4H 710/4885FAAH 1502/4885NOD1 1376/4885
US-20150239861-A1 CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF OGDH, C9, IRAK3 LTA4H 2625/4885FAAH 2001/4885NOD1 11/4885

“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.