SCHEMBL846867

SCHEMBL846867

CCOC(=O)CCc1ccc2c(c1)CCC(C)(C)O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.58
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
GAA P10253 6/20 0.46
MGAM O43451 5/20 0.46
SI P14410 5/20 0.46
MGAM2 Q2M2H8 5/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
GHSR Q92847 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PDE10A Q9Y233 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
COXFA4 O00483 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL338133 0.80 CYP4F2 (0.51) CYP4F2CYP4A11
SCHEMBL8814556 0.79 CTSB (0.58) CTSBGAAMGAMSIMGAM2
SCHEMBL6210404 0.78 COXFA4 (0.50) CTSBGAAMGAMSIMGAM2
SCHEMBL19126316 0.78 GAA (0.53) CTSBGAAMGAMSIMGAM2
SCHEMBL31026771 0.78 COXFA4 (0.50) CTSBGAAMGAMSIMGAM2
SCHEMBL10438286 0.76 KDM1A (0.53) CTSBGAAMGAMSIMGAM2
SCHEMBL19149678 0.76 CTSB (0.54) CTSBGAAMGAMSIMGAM2
SCHEMBL847088 0.75 ALOX5 (0.52) GAAMAOBKDM4EALDH1A1HPGD
SCHEMBL847089 0.75 ALOX5 (0.52) GAAMAOBKDM4EALDH1A1HPGD
SCHEMBL27634797 0.75 KDM1A (0.52) CTSBGAAMGAMSIMGAM2

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 8 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
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
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
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US 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 CTSB 3259/4885CYP4F2 1543/4885CYP4A11 2259/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 CTSB 3259/4885CYP4F2 1543/4885CYP4A11 2259/4885

“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.