SCHEMBL2390736

SCHEMBL2390736

COC(=O)[C@H](CCCNC(=N)N)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 6/20 0.44
▸ NPY1R P25929 4/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT5 Q9NXA8 2/20 0.38
▸ FOLH1 Q04609 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ NPY2R P49146 3/20 0.35
▸ NPY5R Q15761 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDF Q9HBH1 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ GNPAT O15228 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
SCHEMBL5807981 1.00 NPY4R (0.44) NPY4RNPY1RSIRT6SIRT1SIRT5
Hydrochloric Acid SCHEMBL11506342 0.98 NPY4R (0.44) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL5812127 0.88 SIRT6 (0.43) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL5812133 0.88 SIRT6 (0.43) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL28406173 0.88 SIRT6 (0.40) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL21879809 0.88 NPY4R (0.44) NPY4RNPY1RSIRT1FOLH1ERAP1
SCHEMBL5810079 0.88 SIRT1 (0.43) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL27846680 0.87 NPY4R (0.42) NPY4RNPY1RFOLH1ERAP1LNPEP
SCHEMBL5814333 0.87 SIRT6 (0.39) NPY4RNPY1RSIRT6SIRT1SIRT5
SCHEMBL5814337 0.87 SIRT6 (0.39) NPY4RNPY1RSIRT6SIRT1SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 — — WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US claimed
WO-2024073392-A1 USE OF NONVOLATILE ANTIMICROBIALS IN FOOD PACKAGING CSP TECHNOLOGIES, INC. (US) 2024-04-04 — — WO disclosed
CN-107628937-B Protein chemical cross-linking agent and preparation method and application thereof 北京大学 2020-11-06 — — CN disclosed
US-9572788-B2 Cell permeable inhibitors of anaphase promoting complex PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-02-21 — — US disclosed
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 — — US disclosed
WO-2016081889-A1 RECOMBINANT C1 ESTERASE INHIBITOR AND USE THEREOF OSTHER KURT BAEKGAARD (US) 2016-05-26 — — WO disclosed
US-20150328214-A1 CELL PERMEABLE INHIBITORS OF ANAPHASE PROMOTING COMPLEX PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-11-19 — — US disclosed
WO-2015160772-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2015-10-22 — — WO disclosed
EP-1848817-B1 METHOD FOR DIFFERENTIALLY DETECTING MULTIMERIC FORM FROM MONOMERIC FORM OF MULTIMER-FORMING POLYPEPTIDES PEOPLEBIO INC (KR) 2013-04-24 — — EP disclosed
US-8026070-B2 Differential detection of multimeric and monomeric forms of multimer-forming polypeptides PEOPLEBIO, INC. (KR) 2011-09-27 — — US disclosed
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-03 — — US disclosed
US-5532267-A Amidinonaphthyl furancarboxylate derivatives and acid addition salts therof TORII & CO., LTD. (JP) 1996-07-02 — — US disclosed
EP-0556024-B1 Novel amidinonaphthyl furancarboxylate derivatives and acid addition salts thereof TORII & CO LTD (JP) 1995-08-02 — — EP disclosed
EP-0506468-B1 N-substituted 4-phenyl-piperidine opioid-antagonists LILLY CO ELI (US) 1995-04-26 — — EP disclosed
US-5270328-A Peripherally selective piperidine opioid antagonists ELI LILLY AND COMPANY (US) 1993-12-14 — — US disclosed
EP-0556024-A1 Novel amidinonaphthyl furancarboxylate derivatives and acid addition salts thereof TORII & CO., LTD. (JP) 1993-08-18 — — EP disclosed
US-5159081-A INTERMEDIATES OF PERIPHERALLY SELECTIVE N-CARBONYL-3,4,4-TRISUBSTITUTED PIPERIDINE OPIOID ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-10-27 — — US disclosed
EP-0506468-A1 N-substituted 4-phenyl-piperidine opioid-antagonists ELI LILLY AND COMPANY (US) 1992-09-30 — — EP disclosed
US-4132769-A ANTISERA AND ANTIBODIES SPECIFIC AGAINST A HUMAN CANCER ASSOCIATED PROTEIN, IMMUNOLOGY OSTHER KURT B 1979-01-02 — — 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 (3 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-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 GLRA1, GRM5, TRHR NPY4R 34/4885NPY1R 21/4885SIRT6 3714/4885
US-20150328214-A1 CELL PERMEABLE INHIBITORS OF ANAPHASE PROMOTING COMPLEX CDC20, BUB1B, BUB1 NPY4R 4868/4885NPY1R 4837/4885SIRT6 2491/4885
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 NPY4R 1052/4885NPY1R 339/4885SIRT6 621/4885

“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.

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