SCHEMBL846644

SCHEMBL846644

CCOC(=O)CCc1ccc(N2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
HRH3 Q9Y5N1 1/20 0.53
MAPT P10636 5/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.48

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
SCHEMBL847690 1.00 CYP4F2 (0.59) CYP4F2CYP4A11HRH3MAPTNPC1
SCHEMBL11872337 0.85 MAPT (0.54) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL68902 0.81 CYP4F2 (0.85) CYP4F2CYP4A11HRH3MAPTTDP1
SCHEMBL17316376 0.81 LIPE (0.51) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL3684699 0.80 AOC3 (0.54) CYP4F2CYP4A11HRH3MAPTNPC1
SCHEMBL27534091 0.80 SMN1; SMN2 (0.55) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL23582745 0.80 CYP4F2 (0.55) CYP4F2CYP4A11HRH3MAPTALDH1A1
SCHEMBL6776662 0.79 MAPT (0.50) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL28818545 0.79 CYP4F2 (0.54) CYP4F2CYP4A11HRH3MAPTALDH1A1
SCHEMBL23582746 0.79 CYP4F2 (0.54) CYP4F2CYP4A11HRH3MAPTALDH1A1

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 13 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-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
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.