SCHEMBL4302199

SCHEMBL4302199

N#Cc1cc(=O)n(CCN2CCC(NC(=O)O)CC2)c2cc(F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.47
CNR2 P34972 4/20 0.43
CHRM1 P11229 3/20 0.41
MCHR1 Q99705 3/20 0.39
CACNA1F O60840 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD2 P14416 1/20 0.38
CNR1 P21554 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL923934 0.92 KCNH2 (0.51) KCNH2CNR2CHRM1
SCHEMBL4302247 0.87 KCNA3 (0.49) KCNH2CNR2DRD2
SCHEMBL4300063 0.86 CNR2 (0.48) KCNH2CNR2CHRM1MCHR1DRD2
SCHEMBL27780802 0.84 KCNH2 (0.43) KCNH2DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL3840015 0.83 KCNH2 (0.42) KCNH2DRD2HTR2AHTR2C
SCHEMBL4301542 0.83 CNR2 (0.45) KCNH2CNR2MCHR1DRD3
SCHEMBL921522 0.81 CNR2 (0.42) KCNH2CNR2CHRM1MCHR1MCHR2
SCHEMBL923075 0.81 KCNH2 (0.47) KCNH2CNR2CACNA1FHTR1AADORA3
SCHEMBL921593 0.81 CNR2 (0.46) KCNH2CNR2CHRM1MCHR1MCHR2
SCHEMBL4770655 0.80 KCNH2 (0.41) KCNH2DRD2HTR2AHTR2CDRD3

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 KCNH2 2142/4885CNR2 3669/4885CHRM1 4578/4885

“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.