SCHEMBL4611409

SCHEMBL4611409

CC(C)CNC(=O)OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 5/20 0.43
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.39
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37
CNR2 P34972 2/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37

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
Ammonia Solution, Strong SCHEMBL9998724 0.98 SMN1; SMN2 (0.51) SMN1; SMN2CYP2D6CYP2C19TSHRMMP1
SCHEMBL20580387 0.94 SMN1; SMN2 (0.49) SMN1; SMN2CYP2D6CYP2C19TSHRMMP1
SCHEMBL12116102 0.87 SMN1; SMN2 (0.50) SMN1; SMN2CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL15148250 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL22361561 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CYP2D6CYP2C19TSHRALDH1A1
SCHEMBL15148251 0.85 CYP2C19 (0.45) SMN1; SMN2CYP2D6CYP2C19MMP1MMP8
SCHEMBL19364750 0.85 CYP2D6 (0.45) SMN1; SMN2CYP2D6CYP2C19MMP1MMP8
SCHEMBL19343055 0.82 SMN1; SMN2 (0.46) SMN1; SMN2CYP2D6CYP2C19MMP1MMP8
SCHEMBL19355185 0.82 CYP2D6 (0.42) SMN1; SMN2CYP2D6CYP2C19MMP1MMP8
SCHEMBL19343052 0.82 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C19TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170301950-A1 SOLID ELECTROLYTE COMPOSITION, ELECTRODE SHEET FOR BATTERY USING THE SAME, ALL SOLID STATE SECONDARY BATTERY, AND METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY AND ALL SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2017-10-19 US disclosed
US-20170301950-A1 SOLID ELECTROLYTE COMPOSITION, ELECTRODE SHEET FOR BATTERY USING THE SAME, ALL SOLID STATE SECONDARY BATTERY, AND METHOD FOR MANUFACTURING ELECTRODE SHEET FOR BATTERY AND ALL SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2017-10-19 US disclosed
US-20170189477-A1 Methods and Compositions of P27KIP1 Transcriptional Modulators NIH-DEITR 2017-07-06 US disclosed
US-20170189477-A1 Methods and Compositions of P27KIP1 Transcriptional Modulators NIH-DEITR 2017-07-06 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-9572815-B2 Methods and compositions of p27KIP1 transcriptional modulators ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-02-21 US disclosed
US-20160030445-A1 METHODS AND COMPOSITIONS OF P27KIP1 TRANSCRIPTIONAL MODULATORS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-02-04 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20090098130-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONIST COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED (IE) 2009-04-16 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
CN-101237886-A Compositions for producing weight loss OREXIGEN THERAPEUTICS INC (US) 2008-08-06 CN disclosed
US-20080166364-A1 Conjugated to antibody; thrombospondin receptor targeting COVX TECHNOLOGY IRELAND, LTD. (IE) 2008-07-10 US disclosed
US-20080152660-A1 Anti-Angiogenic Compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2008-06-26 US disclosed
EP-1907005-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS Orexigen Therapeutics, Inc. (US) 2008-04-09 EP disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20070117827-A1 Compositions for affecting weight loss U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2007-05-24 US disclosed
WO-2007016108-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS OREXIGEN THERAPEUTICS, INC. (US) 2007-02-08 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 (10 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 3741/4885CYP2D6 497/4885CYP2C19 180/4885
US-20070117827-A1 Compositions for affecting weight loss MC4R, MC3R, MC5R SMN1; SMN2 784/4885CYP2D6 867/4885CYP2C19 1229/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L SMN1; SMN2 3511/4885CYP2D6 365/4885CYP2C19 105/4885
US-20080166364-A1 Conjugated to antibody; thrombospondin receptor targeting TEK, KDR, FLT4 SMN1; SMN2 2507/4885CYP2D6 4794/4885CYP2C19 4810/4885
US-20090098130-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONIST COMPOUNDS GLP1R, GIPR, GCGR SMN1; SMN2 3888/4885CYP2D6 4658/4885CYP2C19 4670/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 SMN1; SMN2 2068/4885CYP2D6 2976/4885CYP2C19 3803/4885
US-20170189477-A1 Methods and Compositions of P27KIP1 Transcriptional Modulators WNT1, CTNNB1, CTNNBL1 SMN1; SMN2 4085/4885CYP2D6 4033/4885CYP2C19 4723/4885
US-20160030445-A1 METHODS AND COMPOSITIONS OF P27KIP1 TRANSCRIPTIONAL MODULATORS WNT1, CTNNB1, CTNNBL1 SMN1; SMN2 4190/4885CYP2D6 4131/4885CYP2C19 4740/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E SMN1; SMN2 4053/4885CYP2D6 465/4885CYP2C19 712/4885
US-20080152660-A1 Anti-Angiogenic Compounds VEGFA, FLT4, KDR SMN1; SMN2 3528/4885CYP2D6 4784/4885CYP2C19 4855/4885

“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.