SCHEMBL847095

SCHEMBL847095

CCOC(=O)CCc1ccc(N(C)CC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
HRH3 Q9Y5N1 1/20 0.47
CYP4Z1 Q86W10 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TRPV1 Q8NER1 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
MGLL Q99685 1/20 0.38
S1PR1 P21453 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
SCHEMBL846499 0.83 FFAR1 (0.49) HRH3L3MBTL1ALDH1A1TRPV1
SCHEMBL845854 0.82 CYP4F2 (0.54) CYP4F2CYP4A11HRH3CYP4Z1L3MBTL1
SCHEMBL13991741 0.79 TRPV1 (0.40) HRH3TRPV1
SCHEMBL10729278 0.77 CYP4F2 (0.68) CYP4F2CYP4A11HRH3CYP4Z1L3MBTL1
SCHEMBL845855 0.77 CYP4F2 (0.52) CYP4F2CYP4A11HRH3CYP4Z1L3MBTL1
SCHEMBL68902 0.75 CYP4F2 (0.85) CYP4F2CYP4A11HRH3CYP4Z1L3MBTL1
SCHEMBL859876 0.74 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1L3MBTL1
SCHEMBL8984887 0.74 CYP4F2 (0.46) CYP4F2CYP4A11HRH3ALDH1A1S1PR1
SCHEMBL11331466 0.73 CYP4F2 (0.55) CYP4F2CYP4A11CYP4Z1ALDH1A1CYP4F11
SCHEMBL11226774 0.73 CYP4F2 (0.55) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12

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 10 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
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 CYP4F2 1543/4885CYP4A11 2259/4885HRH3 97/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 CYP4F2 1543/4885CYP4A11 2259/4885HRH3 97/4885

“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.