SCHEMBL3133127

SCHEMBL3133127

Cc1ccc2c(ccc(=O)n2C)c1CC=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.42
SLC6A4 P31645 9/20 0.42
KCNH2 Q12809 9/20 0.42
HTR1D P28221 8/20 0.42
HTR1B P28222 4/20 0.42
KDM4E B2RXH2 2/20 0.39
NQO2 P16083 1/20 0.39
BRPF1 P55201 4/20 0.35
KAT2B Q92831 2/20 0.35
CA12 O43570 1/20 0.35
BRD4 O60885 1/20 0.35
CA9 Q16790 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
PARG Q86W56 1/20 0.33
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3147898 0.86 HTR1A (0.42) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL3151784 0.83 HTR1A (0.43) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL3143287 0.71 KDM4E (0.44) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL3148236 0.70 HTR1A (0.42) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL25954606 0.69 KDM4E (0.42) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL7478119 0.67 KDM4E (0.61) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL3138016 0.67 PDE3B (0.42) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL13560811 0.66 BRPF1 (0.58) KDM4ENQO2BRPF1KAT2BCA12
SCHEMBL21820270 0.65 NQO2 (0.46) KDM4ENQO2KAT2BBRD4BRD9
SCHEMBL29712035 0.65 NQO2 (0.46) KDM4ENQO2KAT2BBRD4BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004452-A1 5-QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIRMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004452-A1 5-QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIRMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004452-A1 5-QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIRMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
EP-2094686-A1 5-{2-[4-(2-METHYL-5-QUINOLINYL)-L-PIPERIDINYL]ETHYL} QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIREMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. Glaxo Group Limited (GB) 2009-09-02 EP disclosed
WO-2008037681-A1 5-{2-[4-(2-METHYL-5-QUINOLINYL)-L-PIPERIDINYL] ETHYL} QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIREMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. GLAXO GROUP LIMITED (GB) 2008-04-03 WO disclosed
WO-2008037681-A1 5-{2-[4-(2-METHYL-5-QUINOLINYL)-L-PIPERIDINYL] ETHYL} QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIREMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. GLAXO GROUP LIMITED (GB) 2008-04-03 WO 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-20100004452-A1 5-QUINOLINONE DERIVATIVES AS 5HT1A RECEPTOR MODULATORS FOR TREATING SEXUAL DYSFUNCTION, COGNITION IMPAIRMENT, PSYCHOTIC DISORDERS, ANXIETY, DEPRESSION, ETC. HTR1A, HTR1D, HTR1E HTR1A 1/4885SLC6A4 124/4885KCNH2 779/4885

“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.