SCHEMBL846524

SCHEMBL846524

CCCCCCN(C)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
TMEM97 Q5BJF2 2/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
LPAR1 Q92633 1/20 0.49
LPAR5 Q9H1C0 1/20 0.49
MGLL Q99685 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP4A11 Q02928 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
CNR2 P34972 1/20 0.47
CYP4F2 P78329 1/20 0.47
PDE6D O43924 1/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL1638297 0.89 SIGMAR1 (0.47) SIGMAR1TMEM97BCHEACHELPAR1
SCHEMBL10995347 0.87 LPAR1 (0.50) LPAR1LPAR5MGLLCYP4A11LOXL2
SCHEMBL846399 0.84 RARB (0.56) SIGMAR1TMEM97MEN1KMT2ACNR2
SCHEMBL846165 0.82 SIGMAR1 (0.50) SIGMAR1TMEM97BCHEACHEMEN1
Methyl Benzoate SCHEMBL10995353 0.82 TSHR (0.58) SIGMAR1MGLLKMT2ATSHRTHRA
SCHEMBL5776546 0.82 CYP4A11 (0.57) SIGMAR1BCHEACHECYP4A11LOXL2
SCHEMBL5656954 0.82 LTA4H (0.51) SIGMAR1TMEM97MEN1KMT2ACYP4A11
SCHEMBL23423391 0.82 LOXL2 (0.56) ACHEMEN1KMT2ACYP4A11LOXL2
SCHEMBL7764937 0.81 SIGMAR1 (0.58) SIGMAR1TMEM97BCHEACHEMEN1
SCHEMBL8722902 0.81 SIGMAR1 (0.58) SIGMAR1TMEM97BCHEACHEMEN1

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 12 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
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 SIGMAR1 67/4885TMEM97 169/4885BCHE 4509/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 SIGMAR1 67/4885TMEM97 169/4885BCHE 4509/4885

“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.