SCHEMBL846557

SCHEMBL846557

O=C(Nc1cnc2cccc(F)c2c1)c1ccc(N2CCCCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.59
RAB9A P51151 10/20 0.59
SMN1; SMN2 Q16637 9/20 0.59
TP53 P04637 6/20 0.59
HTT P42858 2/20 0.59
ALOX15 P16050 2/20 0.59
MAPK1 P28482 1/20 0.59
MAPT P10636 11/20 0.53
TSHR P16473 1/20 0.53
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
MCL1 Q07820 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 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
SCHEMBL845882 0.85 TRPV1 (0.43) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL846941 0.83 RAB9A (0.59) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL846379 0.82 KDR (0.67) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL846030 0.82 KDR (0.67) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL846300 0.82 KDR (0.67) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL846074 0.82 KDR (0.67) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL845964 0.81 KDR (0.68) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL846076 0.81 RAB9A (0.65) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL846721 0.81 RAB9A (0.65) NPC1RAB9ASMN1; SMN2TP53HTT
SCHEMBL846391 0.76 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2TP53HTT

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 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
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP claimed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US claimed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO 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 NPC1 1518/4885RAB9A 2453/4885SMN1; SMN2 4426/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 NPC1 1518/4885RAB9A 2453/4885SMN1; SMN2 4426/4885

“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.