SCHEMBL859876

SCHEMBL859876

CCOC(=O)CCc1ccc(N(C)CCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
ALOX5 P09917 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
LTA4H P09960 2/20 0.50
CYP4Z1 Q86W10 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ABCB1 P08183 1/20 0.47
APP P05067 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL18011700 0.84 CYP4F2 (0.64) CYP4F2CYP4A11ALOX5TDP1SMN1; SMN2
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.84 TDP1 (0.75) CYP4F2CYP4A11ALOX5TDP1SMN1; SMN2
SCHEMBL11226774 0.83 CYP4F2 (0.55) CYP4F2CYP4A11ALOX5LTA4HCYP4Z1
Ethyl 3-Phenylpropanoate SCHEMBL7440447 0.82 TDP1 (0.72) CYP4F2CYP4A11ALOX5TDP1SMN1; SMN2
SCHEMBL10729278 0.81 CYP4F2 (0.68) CYP4F2CYP4A11ALOX5TDP1SMN1; SMN2
SCHEMBL2773061 0.81 CYP4F2 (0.68) CYP4F2CYP4A11ALOX5TDP1LTA4H
SCHEMBL2405898 0.81 SMN1; SMN2 (0.65) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H
SCHEMBL7756846 0.81 CYP4F2 (0.59) CYP4F2CYP4A11ALOX5TDP1SMN1; SMN2
SCHEMBL8993937 0.80 SMN1; SMN2 (0.63) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H
SCHEMBL11585892 0.80 CYP4F2 (0.50) CYP4F2CYP4A11ALOX5SMN1; SMN2LTA4H

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 2259/4885ALOX5 1097/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 CYP4F2 1543/4885CYP4A11 2259/4885ALOX5 1097/4885

“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.