SCHEMBL4297674

SCHEMBL4297674

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
KCNH2 Q12809 8/20 0.36
MCHR2 Q969V1 1/20 0.35
MCHR1 Q99705 1/20 0.35
DPP4 P27487 3/20 0.34
CYP19A1 P11511 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
SCHEMBL4296644 1.00 GRIN1 (0.37) GRIN1GRIN2BKCNH2MCHR2MCHR1
SCHEMBL4302632 0.90 DPP4 (0.34) GRIN1GRIN2BDPP4CYP19A1
SCHEMBL4294737 0.90 DPP4 (0.34) GRIN1GRIN2BDPP4CYP19A1
SCHEMBL27759442 0.86 GRIN1 (0.40) GRIN1GRIN2BKCNH2DPP4CYP19A1
SCHEMBL4298230 0.85 KCNH2 (0.38) GRIN1GRIN2BKCNH2MCHR2MCHR1
SCHEMBL4296917 0.85 KCNH2 (0.38) GRIN1GRIN2BKCNH2MCHR2MCHR1
SCHEMBL3861905 0.84 BPTF (0.41) GRIN1GRIN2BKCNH2MCHR2MCHR1
SCHEMBL3862111 0.84 KCNH2 (0.44) GRIN1GRIN2BKCNH2
SCHEMBL4294672 0.81 HTR7 (0.38) KCNH2DPP4
SCHEMBL706822 0.79 KCNH2 (0.43) 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 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 GRIN1 3460/4885GRIN2B 3307/4885KCNH2 2142/4885

“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.