SCHEMBL846129

SCHEMBL846129

CCCCC(C)(C)c1ccc(CCCC(=O)Nc2cnc3ccccc3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.64
HDAC1 Q13547 7/20 0.56
HDAC2 Q92769 7/20 0.56
HDAC6 Q9UBN7 7/20 0.56
HDAC3 O15379 6/20 0.56
HDAC10 Q969S8 6/20 0.56
HDAC4 P56524 5/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
HDAC5 Q9UQL6 5/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL846613 0.95 TRPV1 (0.62) TRPV1HDAC1HDAC2HDAC6HDAC3
SCHEMBL846378 0.91 TRPV1 (0.61) TRPV1HDAC1HDAC2HDAC6HDAC3
SCHEMBL846038 0.85 MEN1 (0.58) TRPV1HDAC1HDAC2HDAC6HDAC3
SCHEMBL846178 0.85 MEN1 (0.60) TRPV1HDAC1HDAC2HDAC6HDAC3
SCHEMBL1577038 0.85 TRPV1 (0.76) TRPV1HDAC1HDAC2HDAC6HDAC3
SCHEMBL860203 0.84 TRPV1 (0.71) TRPV1RAB9A
SCHEMBL846333 0.84 TRPV1 (0.74) TRPV1HDAC1HDAC2HDAC6HDAC3
SCHEMBL13991493 0.82 HDAC1 (0.77) TRPV1HDAC1HDAC2HDAC6HDAC3
SCHEMBL20509078 0.82 HDAC1 (0.76) TRPV1HDAC1HDAC2HDAC6HDAC3
SCHEMBL846266 0.82 TRPV1 (0.50) TRPV1HDAC1HDAC2HDAC6HDAC3

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 claimed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US claimed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US claimed
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

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 TRPV1 1/4885HDAC1 1481/4885HDAC2 1504/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 TRPV1 1/4885HDAC1 1481/4885HDAC2 1504/4885

“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.