SCHEMBL4294672

SCHEMBL4294672

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
SCN7A Q01118 2/20 0.38
BPTF Q12830 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
DPP4 P27487 1/20 0.35
KCNH2 Q12809 3/20 0.35
CCR3 P51677 4/20 0.35
CYP2D6 P10635 3/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL3861905 0.93 BPTF (0.41) HTR7BPTFKCNH2
SCHEMBL14320189 0.82 SCN7A (0.51) HTR7SCN7ASCN5ASCN2ASCN8A
SCHEMBL18117312 0.81 SCN7A (0.53) HTR7SCN7ASCN5ASCN2ASCN8A
SCHEMBL4297674 0.81 GRIN1 (0.37) DPP4KCNH2
SCHEMBL4296644 0.81 GRIN1 (0.37) DPP4KCNH2
Hydrochloric Acid SCHEMBL4297106 0.81 GRIN1 (0.33) HTR7SCN7AKCNH2
Hydrochloric Acid SCHEMBL4297103 0.81 GRIN1 (0.33) HTR7SCN7AKCNH2
SCHEMBL706822 0.79 KCNH2 (0.43) HTR7SCN7AKCNH2
Hydrochloric Acid SCHEMBL3870194 0.78 KCNH2 (0.43) HTR7SCN7AKCNH2
SCHEMBL4294797 0.77 KCNH2 (0.42) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516889-B Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD 2013-07-31 CN 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
CN-101516889-A Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD (GB) 2009-08-26 CN 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 HTR7 3914/4885SCN7A 1260/4885BPTF 857/4885

“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.