SCHEMBL845981

SCHEMBL845981

CCCCCn1ccc2cc(C(=O)OC)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
TLR8 Q9NR97 1/20 0.51
PLA2G4A P47712 4/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47

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
SCHEMBL3349233 0.96 PLG (0.51) PLGPLAUTLR8PLA2G4AMTNR1A
SCHEMBL3352536 0.85 KDM4E (0.60) TLR8PLA2G4AMTNR1AMTNR1BKDM4E
SCHEMBL846081 0.85 PLA2G4A (0.61) PLGPLAUPLA2G4A
SCHEMBL2324058 0.85 TUBB4A (0.62) MTNR1AMTNR1BKDM4ETUBB4ATUBB
SCHEMBL1809488 0.84 HDAC6 (0.51) PLGPLAUMTNR1AMTNR1BKDM4E
SCHEMBL7340362 0.84 PLA2G4A (0.63) PLGPLAUPLA2G4A
SCHEMBL13699049 0.82 KDM4E (0.55) MTNR1AMTNR1BKDM4ETUBB4ATUBB
SCHEMBL16741925 0.82 HTR2A (0.54) PLGPLAUMTNR1AMTNR1BKDM4E
SCHEMBL30527841 0.82 HTR2A (0.54) PLGPLAUMTNR1AMTNR1BKDM4E
SCHEMBL3144113 0.81 KDM4E (0.51) MTNR1AMTNR1BKDM4ETUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 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 (2 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 PLG 4710/4885PLAU 4851/4885TLR8 305/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 PLG 4710/4885PLAU 4851/4885TLR8 305/4885

“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.