SCHEMBL846084

SCHEMBL846084

CCOC(=O)CCc1ccc(C(C)(C)CC)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.64
CYP4A11 Q02928 2/20 0.64
CYP4Z1 Q86W10 3/20 0.51
EPHX2 P34913 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP4F11 Q9HBI6 1/20 0.43
CYP4F12 Q9HCS2 1/20 0.43
POLB P06746 1/20 0.42
SYK P43405 1/20 0.41
ALOX5 P09917 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL4888029 0.87 CYP4F2 (0.68) CYP4F2CYP4A11CYP4Z1EPHX2TDP1
SCHEMBL68902 0.85 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1EPHX2TDP1
SCHEMBL5646521 0.83 CYP4F2 (0.66) CYP4F2CYP4A11CYP4Z1EPHX2TDP1
Hydrochloric Acid SCHEMBL27739628 0.81 CYP4F2 (0.64) CYP4F2CYP4A11CYP4Z1EPHX2TDP1
SCHEMBL25256046 0.80 ALDH1A1 (0.53) CYP4F2CYP4A11EPHX2LMNAMAPT
SCHEMBL861913 0.80 RXRA (0.55) EPHX2LMNATRPV1L3MBTL1
SCHEMBL4871127 0.80 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1EPHX2TDP1
SCHEMBL363982 0.80 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1EPHX2TDP1
SCHEMBL10206072 0.80 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1EPHX2TDP1
SCHEMBL879130 0.80 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1EPHX2TDP1

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 11 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
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 2259/4885CYP4Z1 3391/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 CYP4F2 1543/4885CYP4A11 2259/4885CYP4Z1 3391/4885

“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.