SCHEMBL3866475

SCHEMBL3866475

COC(=O)C1C(=O)C2CCC1N2C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
HIF1A Q16665 1/20 0.49
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 2/20 0.35
PREP P48147 3/20 0.34
ABCB1 P08183 1/20 0.34
PDE4B Q07343 1/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL1010269 0.91 CYP1A2 (0.54) CYP1A2HIF1ACHRM2CHRM1CHRM3
SCHEMBL16838718 0.85 CHRM2 (0.38) CYP1A2HIF1ACHRM2CHRM1CHRM3
SCHEMBL7665343 0.81 CHRM2 (0.36) CYP1A2HIF1ACHRM2CHRM1CHRM3
SCHEMBL29642341 0.80 CHRM2 (0.46) CYP1A2HIF1ACHRM2CHRM1CHRM3
SCHEMBL1012317 0.80 CHRM2 (0.46) CYP1A2HIF1ACHRM2CHRM1CHRM3
SCHEMBL797568 0.80 CHRM2 (0.46) CYP1A2HIF1ACHRM2CHRM1CHRM3
SCHEMBL15239620 0.80 CHRM2 (0.46) CYP1A2HIF1ACHRM2CHRM1CHRM3
SCHEMBL31534303 0.77 CHRM2 (0.38) CYP1A2HIF1ACHRM2CHRM1CHRM3
SCHEMBL31608720 0.77 CHRM2 (0.38) CYP1A2HIF1ACHRM2CHRM1CHRM3
SCHEMBL30680871 0.77 CHRM2 (0.38) CYP1A2HIF1ACHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008068-B1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES ASCENEURON SA (CH) 2020-12-30 EP disclosed
EP-2935263-B1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-12-05 EP disclosed
US-9505769-B2 Tetraaza-cyclopenta[a]indenyl derivatives ASCENEURON SA (CH) 2016-11-29 US disclosed
US-20160137648-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES ASCENEURON SA (CH) 2016-05-19 US disclosed
EP-3008068-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES Asceneuron SA (CH) 2016-04-20 EP disclosed
EP-2935263-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
US-8962611-B2 Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-24 US disclosed
WO-2014198808-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES ASCENEURON SA (CH) 2014-12-18 WO disclosed
EP-2813505-A1 Tetraaza-cyclopenta[a]indenyl derivatives Asceneuron SA (CH) 2014-12-17 EP disclosed
US-8907095-B2 Bicyclic heterocycle derivatives and their use as modulators of the activity of GPR119 MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-20140357618-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME LLC 2014-12-04 US disclosed
US-8846657-B2 Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 US disclosed
US-20140179680-A1 Substituted Imidazopyridines as HDM2 Inhibitors MERCK SHARP & DOHME LLC 2014-06-26 US disclosed
WO-2014100065-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 US disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 US disclosed
US-7595327-B2 Exo-N-Hydroxy-3-[methyl({4-[(2-methylquinolin-4-yl) methoxy]phenyl}sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxamide; rheumatoid arthritis (RA), juvenile RA, psoriatic arthritis, ankylosing spondylitis, psoriasis, osteoarthritis, tumor metastasis, sepsis, AIDS, ulcerative colitis, multiple sclerosis WYETH (US) 2009-09-29 US disclosed
US-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase WYETH (US) 2006-09-21 US disclosed
US-6384228-B2 EPIBATIDINE; ANALGESICS; ANIMAL EXTRACTS NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-05-07 US disclosed
US-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-01-24 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 (6 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-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase SI, MMP12, TNF CYP1A2 861/4885HIF1A 103/4885CHRM2 2768/4885
US-20140179680-A1 Substituted Imidazopyridines as HDM2 Inhibitors DDX21, ING2, MDM2 CYP1A2 2648/4885HIF1A 2894/4885CHRM2 4873/4885
US-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF DHPS, ALAD, HAAO CYP1A2 163/4885HIF1A 2351/4885CHRM2 4586/4885
US-20160137648-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES CHRM1, CHRM2, CHRM3 CYP1A2 640/4885HIF1A 3112/4885CHRM2 2/4885
US-20140357618-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS DDX21, ING2, MDM2 CYP1A2 2648/4885HIF1A 2894/4885CHRM2 4873/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 CYP1A2 1398/4885HIF1A 801/4885CHRM2 1266/4885

“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.