SCHEMBL3148236

SCHEMBL3148236

C=CCc1c(Cl)ccc2c1ccc(=O)n2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.42
HTR1D P28221 5/20 0.42
SLC6A4 P31645 5/20 0.42
KCNH2 Q12809 5/20 0.42
HTR1B P28222 3/20 0.42
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BRPF1 P55201 4/20 0.34
BRD1 O95696 1/20 0.34
CA12 O43570 1/20 0.33
BRD4 O60885 1/20 0.33
CA9 Q16790 1/20 0.33
KAT2B Q92831 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
NQO2 P16083 1/20 0.31
HTT P42858 2/20 0.30
HIF1A Q16665 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3151784 0.87 HTR1A (0.43) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL3147898 0.84 HTR1A (0.42) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL3133127 0.70 HTR1A (0.42) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL3142409 0.67 PDE3B (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL31667098 0.65 BRPF1 (0.34) BRPF1BRD1CA12BRD4CA9
SCHEMBL13560811 0.64 BRPF1 (0.58) KDM4EBRPF1BRD1CA12BRD4
SCHEMBL22450686 0.64 KMT2A (0.34) KDM4EMEN1KMT2ABRD4ALDH1A1
SCHEMBL7856928 0.64 SRD5A1 (0.40) KDM4EMEN1KMT2ACA12CA9
SCHEMBL9792845 0.64 CYP3A4 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL24207587 0.63 BRPF1 (0.34) KDM4EBRPF1CA12BRD4CA9

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 1/4885HTR1D 2/4885SLC6A4 124/4885

“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.