SCHEMBL2146137

SCHEMBL2146137

CC(C)(C)OC(=O)C1(C(=O)O)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL15055670 0.90 KDM4E (0.35) OPRM1KDM4EKMT2ACYP4F2CYP4A11
SCHEMBL8880684 0.88 RBP4 (0.33) CYP4F2CYP4A11
Ammonia Solution, Strong SCHEMBL28588874 0.86 RBP4 (0.33) CYP4F2CYP4A11
SCHEMBL4829842 0.84 NPSR1 (0.31) CYP4F2CYP4A11
SCHEMBL4742520 0.84 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL23293553 0.82 CYP2C19 (0.32) CYP4F2CYP4A11
SCHEMBL6900137 0.82
SCHEMBL3557213 0.81
SCHEMBL3406827 0.81 OPRM1 (0.33) OPRM1KDM4EKMT2A
SCHEMBL7884001 0.81 CYP2C19 (0.31) CYP4F2CYP4A11

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
EP-2521941-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM FUJIFILM Corporation (JP) 2012-11-14 EP disclosed
WO-2011083872-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2011-07-14 WO disclosed
CN-101772501-A Heterocyclic compounds and their use as ERK inhibitors SCHERING CORP 2010-07-07 CN disclosed
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
EP-1838311-A1 G-PROTEIN COUPLED RECEPTOR (GPR116) AGONISTS AND USE THEREOF FOR TREATING OBESITY AND DIABETES Prosidion Limited (GB) 2007-10-03 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO disclosed
WO-2006067531-A1 G-PROTEIN COUPLED RECEPTOR (GPR116) AGONISTS AND USE THEREOF FOR TREATING OBESITY AND DIABETES PROSIDION LTD (GB) 2006-06-29 WO disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
EP-1337529-A2 HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2003-08-27 EP disclosed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
WO-2002040474-A2 HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-05-23 WO disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000076511-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
CN-1176645-A Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 1998-03-18 CN 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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 OPRM1 11/4885KDM4E 3387/4885KMT2A 1922/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 OPRM1 2865/4885KDM4E 3286/4885KMT2A 3634/4885

“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.