SCHEMBL4294737

SCHEMBL4294737

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GBA1 P04062 1/20 0.33
SCN7A Q01118 2/20 0.32
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
HTR7 P34969 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL4302632 1.00 DPP4 (0.34) DPP4HDAC1HDAC6ALDH1A1MAPT
SCHEMBL4296644 0.90 GRIN1 (0.37) DPP4GRIN1GRIN2BCYP19A1
SCHEMBL4297674 0.90 GRIN1 (0.37) DPP4GRIN1GRIN2BCYP19A1
SCHEMBL3857156 0.84 KCNH2 (0.45) MAPTHTR7
SCHEMBL3838953 0.84 KCNH2 (0.45) MAPTHTR7
SCHEMBL4297755 0.84 KCNH2 (0.36) GBA1GRIN1GRIN2B
SCHEMBL3839976 0.83 KCNH2 (0.46)
Hydrochloric Acid SCHEMBL4297103 0.81 GRIN1 (0.33) HDAC1HDAC6ALDH1A1MAPTSCN7A
Hydrochloric Acid SCHEMBL4297106 0.81 GRIN1 (0.33) HDAC1HDAC6ALDH1A1MAPTSCN7A
SCHEMBL3861905 0.78 BPTF (0.41) HTR7GRIN1GRIN2B

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 3 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
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 DPP4 1402/4885HDAC1 1584/4885HDAC6 812/4885

“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.