SCHEMBL3138016

SCHEMBL3138016

Cc1ccc2[nH]c(=O)ccc2c1CC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.42
PDE3A Q14432 10/20 0.42
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13524438 0.86 PDE3B (0.41) PDE3BPDE3AHTR1AHTR1DHTR1B
SCHEMBL2956384 0.73 PDE3B (0.52) PDE3BPDE3ALMNACYP1A2CYP2C19
SCHEMBL3912983 0.71 KDM4E (0.37) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL1003549 0.70 PDE3B (0.49) PDE3BPDE3ALMNACYP1A2CYP2C19
SCHEMBL3138208 0.70 PDE3B (0.49) PDE3BPDE3ALMNACYP1A2CYP2C19
SCHEMBL3922420 0.70 KDM4E (0.40) CYP1A2CYP2C19TNKS2CA12CA9
SCHEMBL3912764 0.68 NQO2 (0.51) PDE3BPDE3ATNKS2KDM4EALDH1A1
SCHEMBL13524439 0.68 CYP19A1 (0.47) PDE3BPDE3ALMNACYP1A2CYP2C19
SCHEMBL1781653 0.68 MAPT (0.59) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL29953891 0.68 MAPT (0.59) LMNAKDM4EALDH1A1GAAHPGD

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 PDE3B 592/4885PDE3A 585/4885HTR1A 1/4885

“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.