SCHEMBL1054730

SCHEMBL1054730

NC(=O)c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ PTPN1 P18031 4/20 0.48
▸ CASP3 P42574 2/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ TNF P01375 1/20 0.46
▸ TLR2 O60603 2/20 0.46
▸ MDM2 Q00987 1/20 0.46

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
SCHEMBL1829613 1.00 MDM4 (0.52) MDM4TP53PTPN1CASP3KMT2A
SCHEMBL31688826 0.97 MDM4 (0.52) MDM4TP53PTPN1CASP3KMT2A
SCHEMBL31080757 0.97 MDM4 (0.52) MDM4TP53PTPN1CASP3KMT2A
SCHEMBL7056250 0.92 MDM4 (0.51) MDM4TP53PTPN1CASP3KMT2A
SCHEMBL7316241 0.91 MDM4 (0.54) MDM4TP53PTPN1CASP3KMT2A
SCHEMBL10622470 0.90 MDM4 (0.53) MDM4TP53CASP3KMT2ATLR2
SCHEMBL119699 0.90 MDM4 (0.53) MDM4TP53CASP3KMT2ATLR2
SCHEMBL29402444 0.90 MDM4 (0.53) MDM4TP53CASP3KMT2ATLR2
SCHEMBL29398558 0.90 MDM4 (0.53) MDM4TP53CASP3KMT2ATLR2
SCHEMBL119472 0.90 MDM4 (0.53) MDM4TP53CASP3KMT2ATLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US claimed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US disclosed
EP-2275105-B1 Heterocyclic derivatives as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-10-05 — — EP disclosed
EP-1499313-B1 HETEROCYCLIC DERIVATIVES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-29 — — EP disclosed
EP-2275105-A1 Heterocyclic derivatives as opioid receptor modulators Janssen Pharmaceutica NV (BE) 2011-01-19 — — EP disclosed
US-7659402-B2 use as pain relievers, gastrointestinal disorders; 2-Amino-3-aryl-1-[3-((hetero)aryl)piperidin-1-yl]-propan-1-one compounds JANSSEN PHARMACEUTICA, NV (BE) 2010-02-09 — — US disclosed
CN-101175726-A Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-05-07 — — CN disclosed
EP-1863764-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 — — EP disclosed
US-7202381-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2007-04-10 — — US disclosed
WO-2006098982-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-21 — — WO disclosed
US-20060211861-A1 Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 — — US disclosed
US-7041681-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-09 — — US disclosed
US-20060030558-A1 Novel compounds as opioid receptor modulators BRESLIN HENRY J 2006-02-09 — — US disclosed
US-20050187252-A1 2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-phenyl-oxazol-2-yl)-piperidin-1-yl]-propan-1-one; pain and gastrointestinal disorders BRESLIN HENRY J (US) 2005-08-25 — — US disclosed
EP-1499313-A2 HETEROCYCLIC DERIVATIVES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-26 — — EP disclosed
US-20040010014-A1 Novel compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2004-01-15 — — US disclosed
WO-2003092688-A2 HETEROCYCLIC DERIVATIVES AS OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-13 — — 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 (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-20060030558-A1 Novel compounds as opioid receptor modulators OPRL1, OPRK1, OPRM1 MDM4 4706/4885TP53 4868/4885PTPN1 3177/4885
US-20060211861-A1 Process for the preparation of opioid modulators OPRM1, OPRK1, OPRL1 MDM4 4685/4885TP53 4877/4885PTPN1 3530/4885
US-20050187252-A1 2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-phenyl-oxazol-2-yl)-piperidin-1-yl]-propan-1-one; pain and gastrointestinal disorders OPRL1, OPRK1, OPRD1 MDM4 4766/4885TP53 4872/4885PTPN1 2798/4885
US-20040010014-A1 Novel compounds as opioid receptor modulators OPRL1, OPRK1, OPRM1 MDM4 4706/4885TP53 4868/4885PTPN1 3177/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP MDM4 1648/4885TP53 614/4885PTPN1 4361/4885

“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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