SCHEMBL4603098

SCHEMBL4603098

CC(C)(C)OC(=O)N[C]1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
EPHX1 P07099 1/20 0.38
CYP17A1 P05093 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
BTK Q06187 1/20 0.37
DRD2 P14416 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1I3 Q14994 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL1829582 0.98 CYP17A1 (0.39) GAAEPHX1CYP17A1NFKB1NFKB2
SCHEMBL573575 0.94 NFKB1 (0.39) GAAEPHX1CYP17A1NFKB1NFKB2
SCHEMBL1656241 0.90 NFKB1 (0.41) GAACYP17A1NFKB1NFKB2RELA
SCHEMBL1551115 0.79 ALDH1A1 (0.40) GAAEPHX1NFKB1NFKB2RELA
SCHEMBL28960308 0.79 BTK (0.38) GAAEPHX1NFKB1NFKB2RELA
SCHEMBL2397844 0.79 TSHR (0.44) ALDH1A1
SCHEMBL28976941 0.77 TSHR (0.35) GAANFKB1NFKB2RELACA2
SCHEMBL27882879 0.76 TSHR (0.46) ALDH1A1KMT2A
SCHEMBL28167286 0.73 GAA (0.38) GAANFKB1NFKB2RELACA2
SCHEMBL28466003 0.73 CYP17A1 (0.37) GAACYP17A1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed
CN-105142673-B Novel cyclohexyl and quininuclidinyl carbamate derivatives with beta 2-adrenergic activator and M3 muscarinic antagonists activity 阿尔米雷尔有限公司 2018-01-05 CN disclosed
CN-103003281-A Pyrrolo [2, 3 - b] pyrazine - 7 - carboxamide derivatives and their use as jak and syk inhibitors HOFFMANN LA ROCHE 2013-03-27 CN disclosed
US-20080306115-A1 Midazole-4-Carboxamide Derivatives For Use As Cb1 Modulators ASTRAZENECA AB (SE) 2008-12-11 US disclosed
CN-101263134-A Imidazole-4-carboxamide derivatives as CB modulators ASTRAZENECA AB (SE) 2008-09-10 CN disclosed
EP-1940820-A1 MIDAZOLE-4-CARBOXAMIDE DERIVATIVES FOR USE AS CB MODULATORS AstraZeneca AB (SE) 2008-07-09 EP disclosed
WO-2007031721-A1 MIDAZOLE-4-CARBOXAMIDE DERIVATIVES FOR USE AS CB MODULATORS ASTRAZENECA AB (SE) 2007-03-22 WO disclosed
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins JANSSEN PHARAMACEUTICA, N.V. (BE) 2005-09-01 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 (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-20080306115-A1 Midazole-4-Carboxamide Derivatives For Use As Cb1 Modulators CNR2, CNR1, FAAH GAA 1701/4885EPHX1 1321/4885CYP17A1 1005/4885
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins ITGB4, ITGA4, ITGB5 GAA 2720/4885EPHX1 1221/4885CYP17A1 4316/4885

“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.