SCHEMBL846873

SCHEMBL846873

O=C(Nc1cnc2ccccc2c1)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
NAMPT P43490 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
DEGS1 O15121 2/20 0.56
KDR P35968 1/20 0.56
RAB9A P51151 7/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 6/20 0.52
ROCK2 O75116 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
NCOR2 Q9Y618 1/20 0.52
HDAC4 P56524 2/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL846872 1.00 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNANAMPTGAA
SCHEMBL846963 0.88 TRPV1 (0.64) SMN1; SMN2ALDH1A1LMNANAMPTGAA
SCHEMBL25478350 0.80 DEGS1 (0.68) SMN1; SMN2ALDH1A1LMNANAMPTGAA
SCHEMBL15706299 0.78 DEGS1 (0.82) SMN1; SMN2ALDH1A1LMNANAMPTGAA
SCHEMBL25478499 0.77 DEGS1 (0.56) SMN1; SMN2ALDH1A1LMNANAMPTGAA
SCHEMBL846477 0.77 KDR (0.59) SMN1; SMN2ALDH1A1LMNAKDRRAB9A
SCHEMBL2777948 0.77 SLC6A4 (0.51) SMN1; SMN2ALDH1A1LMNADEGS1RAB9A
SCHEMBL1225412 0.77 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1LMNADEGS1KDR
SCHEMBL651159 0.76 KDR (0.74) SMN1; SMN2ALDH1A1LMNAKDRRAB9A
SCHEMBL23751030 0.76 NAMPT (0.64) SMN1; SMN2ALDH1A1LMNANAMPTGAA

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 SMN1; SMN2 4426/4885ALDH1A1 1216/4885LMNA 4359/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 SMN1; SMN2 4426/4885ALDH1A1 1216/4885LMNA 4359/4885

“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.