SCHEMBL845854

SCHEMBL845854

CCOC(=O)CCc1ccc(N(C)C2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
HRH3 Q9Y5N1 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP4Z1 Q86W10 2/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MLYCD O95822 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
MCHR1 Q99705 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL847095 0.82 CYP4F2 (0.51) CYP4F2CYP4A11HRH3L3MBTL1CYP4Z1
SCHEMBL11150979 0.82 FFAR1 (0.51) HRH3L3MBTL1MEN1KMT2ALMNA
SCHEMBL10729278 0.79 CYP4F2 (0.68) CYP4F2CYP4A11HRH3L3MBTL1CYP4Z1
SCHEMBL68902 0.77 CYP4F2 (0.85) CYP4F2CYP4A11HRH3L3MBTL1CYP4Z1
SCHEMBL846846 0.76 CA12 (0.55) L3MBTL1LMNAALDH1A1TRPM8
SCHEMBL846844 0.76 CA12 (0.55) L3MBTL1LMNAALDH1A1TRPM8
SCHEMBL11157087 0.76 CYP4F2 (0.46) CYP4F2CYP4A11HRH3CYP4Z1KDM4E
SCHEMBL18011700 0.74 CYP4F2 (0.64) CYP4F2CYP4A11L3MBTL1CYP4Z1MEN1
SCHEMBL11156954 0.74 ENPP2 (0.52) HRH3L3MBTL1MEN1KMT2AKDM4E
SCHEMBL845855 0.73 CYP4F2 (0.52) CYP4F2CYP4A11HRH3L3MBTL1CYP4Z1

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
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
US-4388459-A HYPOLIPIDEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1983-06-14 US disclosed
US-4259352-A 4-[Cycloalkyl- or cycloalkenyl-amino(cycloalkyl- or cycloalkenyl-alkenyl)amino]phenyl compounds, useful as hypolipidemic and antiatherosclerotic agents AMERICAN CYANAMID COMPANY (US) 1981-03-31 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP 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.