SCHEMBL4294797

SCHEMBL4294797

O=C(O)NC[C@@H]1CCN(CCn2c(=O)ccc3ccc(F)cc32)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.42
CNR2 P34972 2/20 0.41
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MCHR2 Q969V1 1/20 0.38
MCHR1 Q99705 1/20 0.38
HTR4 Q13639 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL4298230 0.87 KCNH2 (0.38) KCNH2CNR2MCHR2MCHR1
SCHEMBL4296917 0.87 KCNH2 (0.38) KCNH2CNR2MCHR2MCHR1
SCHEMBL3861905 0.83 BPTF (0.41) KCNH2MCHR2MCHR1
SCHEMBL4297755 0.82 KCNH2 (0.36) KCNH2CNR2LMNAMCHR2MCHR1
SCHEMBL921593 0.81 CNR2 (0.46) KCNH2CNR2MCHR2MCHR1
SCHEMBL3846958 0.79 HTR1D (0.40) LMNAGAA
SCHEMBL14020852 0.78 KCNH2 (0.59) KCNH2
SCHEMBL4307782 0.78 CNR2 (0.36) KCNH2CNR2MCHR2MCHR1
SCHEMBL4294672 0.77 HTR7 (0.38) KCNH2
SCHEMBL17627894 0.76 TP53 (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
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
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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 KCNH2 2142/4885CNR2 3669/4885LMNA 905/4885

“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.