SCHEMBL4301137

SCHEMBL4301137

CC(C)(C)OC(=O)NC1CCNCC1.COCOc1cccc2cc(C=O)[nH]c(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
RET P07949 1/20 0.35
BTK Q06187 2/20 0.34
EPHX2 P34913 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 2/20 0.34
KCNA3 P22001 1/20 0.33
CFTR P13569 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 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
SCHEMBL3021978 0.79 CYP2A6 (0.39) RET
SCHEMBL4300021 0.68 CYP2A6 (0.47) SSTR1SSTR4EPHX2KMT2AL3MBTL1
Alcohol SCHEMBL28064671 0.67 BTK (0.48) SSTR1SSTR4BTKEPHX2KMT2A
Formic Acid SCHEMBL7216484 0.67 BTK (0.48) BTKEPHX2KMT2AL3MBTL1KCNA3
SCHEMBL4306146 0.67 PDE10A (0.45) SSTR1SSTR4BTKEPHX2KMT2A
SCHEMBL56856 0.67 EPHX1 (0.53) BTKEPHX2KMT2AL3MBTL1KCNA3
Quinoline SCHEMBL28191155 0.66 PDE10A (0.49) SSTR1SSTR4RETBTKEPHX2
Ammonia Solution, Strong SCHEMBL15021680 0.65 EPHX1 (0.52) BTKEPHX2KMT2AL3MBTL1KCNA3
Hydrochloric Acid SCHEMBL4158527 0.65 EPHX1 (0.52) BTKEPHX2KMT2AL3MBTL1KCNA3
Water SCHEMBL27795194 0.65 EPHX1 (0.52) BTKEPHX2KMT2AL3MBTL1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 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 (1 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ SSTR1 4844/4885SSTR4 4254/4885RET 4287/4885

“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.