SCHEMBL845220

SCHEMBL845220

O=C(Nc1cnc2ccccc2c1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
KDM4E B2RXH2 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HSD17B10 Q99714 1/20 0.66
KDR P35968 1/20 0.65
RAB9A P51151 4/20 0.63
MITF O75030 1/20 0.63
XBP1 P17861 1/20 0.63
PAX8 Q06710 1/20 0.63
KLF5 Q13887 1/20 0.63
ALDH1A1 P00352 1/20 0.61
TRPV1 Q8NER1 6/20 0.61
LRRK2 Q5S007 1/20 0.58
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
IGF1R P08069 1/20 0.56
MAPT P10636 3/20 0.56
AKR1C3 P42330 1/20 0.56
ATM Q13315 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL846403 0.91 KDR (0.72) NPC1KDM4ESMN1; SMN2HSD17B10KDR
SCHEMBL845964 0.91 KDR (0.68) NPC1KDM4ESMN1; SMN2HSD17B10KDR
SCHEMBL846074 0.90 KDR (0.67) NPC1KDM4ESMN1; SMN2HSD17B10KDR
SCHEMBL846379 0.90 KDR (0.67) NPC1KDM4ESMN1; SMN2HSD17B10KDR
SCHEMBL846300 0.90 KDR (0.67) NPC1KDM4ESMN1; SMN2HSD17B10KDR
SCHEMBL846030 0.90 KDR (0.67) NPC1KDM4ESMN1; SMN2HSD17B10KDR
SCHEMBL846520 0.88 KDR (0.64) NPC1KDM4ESMN1; SMN2HSD17B10KDR
SCHEMBL848116 0.88 NPC1 (0.65) NPC1KDM4EKDRRAB9AMITF
SCHEMBL846927 0.88 KDR (0.64) NPC1KDM4ESMN1; SMN2HSD17B10KDR
SCHEMBL846408 0.88 KDR (0.64) NPC1KDM4ESMN1; SMN2HSD17B10KDR

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 9 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
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 NPC1 1518/4885KDM4E 3604/4885SMN1; SMN2 4426/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 NPC1 1518/4885KDM4E 3604/4885SMN1; 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.