SCHEMBL845855

SCHEMBL845855

CCOC(=O)CCc1ccc(NCC2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
HRH3 Q9Y5N1 1/20 0.48
CYP4Z1 Q86W10 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
METAP2 P50579 1/20 0.42
MITF O75030 1/20 0.42
SYK P43405 1/20 0.41
MAPT P10636 1/20 0.41
KLK7 P49862 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL11152603 0.87 MAPT (0.54) CYP4Z1ALDH1A1MEN1KMT2ANPC1
SCHEMBL11150994 0.81 FFAR1 (0.54)
SCHEMBL13159630 0.80 CYP4F2 (0.66) CYP4F2CYP4A11HRH3CYP4Z1MITF
SCHEMBL11162713 0.79 RAB9A (0.59) ALDH1A1NPC1RAB9AMAPTL3MBTL1
SCHEMBL11152077 0.79 EPHX1 (0.45) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL10270407 0.78 SPHK1 (0.43) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL846845 0.77 CA12 (0.53) KMT2ANPC1RAB9AMETAP2L3MBTL1
SCHEMBL11156911 0.77 CA12 (0.53) KMT2ANPC1RAB9AMETAP2L3MBTL1
SCHEMBL847095 0.77 CYP4F2 (0.51) CYP4F2CYP4A11HRH3CYP4Z1ALDH1A1
SCHEMBL11157090 0.76 CYP4F2 (0.45) CYP4F2CYP4A11HRH3CYP4Z1MEN1

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 14 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
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.