SCHEMBL846832

SCHEMBL846832

CC(C)(C)c1ccc(C(=O)Nc2cc3ccccc3nc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.60
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
ATM Q13315 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GLA P06280 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TP53 P04637 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PABPC1 P11940 1/20 0.51
EIF4H Q15056 1/20 0.51
NR1H4 Q96RI1 4/20 0.50
PPARG P37231 3/20 0.50
SERPINE1 P05121 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
PPARA Q07869 1/20 0.47

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
SCHEMBL846695 0.82 TRPV1 (0.58) TRPV1RAB9ANPC1ATMALDH1A1
SCHEMBL847085 0.81 TRPV1 (0.56) TRPV1RAB9ANPC1L3MBTL1MEN1
SCHEMBL847086 0.81 TRPV1 (0.56) TRPV1RAB9ANPC1L3MBTL1MEN1
SCHEMBL846284 0.78 RAB9A (0.57) RAB9ANPC1ALDH1A1L3MBTL1TP53
SCHEMBL846514 0.77 TRPV1 (0.68) TRPV1RAB9ANPC1ATMALDH1A1
SCHEMBL845787 0.76 TNKS (0.43) TRPV1RAB9ANPC1ATMALDH1A1
SCHEMBL846622 0.76 MEN1 (0.45) RAB9ANPC1ATMALDH1A1MEN1
SCHEMBL6383953 0.76 HTT (0.49) RAB9ANPC1ATMALDH1A1TP53
SCHEMBL846396 0.75 TRPV1 (1.00) TRPV1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL26074396 0.75 RAB9A (1.00) RAB9ANPC1ATMALDH1A1GLA

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 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
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US 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 1/4885RAB9A 2453/4885NPC1 1518/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 TRPV1 1/4885RAB9A 2453/4885NPC1 1518/4885

“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.