SCHEMBL846840

SCHEMBL846840

O=C(CCc1ccc(N2CCCCC2)cc1)Nc1cnc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 2/20 0.64
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TP53 P04637 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC1 Q13547 6/20 0.55
HDAC2 Q92769 6/20 0.55
HDAC3 O15379 5/20 0.55
HDAC4 P56524 5/20 0.55
HDAC7 Q8WUI4 5/20 0.55
HDAC10 Q969S8 5/20 0.55
HDAC11 Q96DB2 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC6 Q9UBN7 5/20 0.55
HDAC9 Q9UKV0 5/20 0.55
HDAC5 Q9UQL6 5/20 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
SCHEMBL846042 1.00 NPC1 (0.64) NPC1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL13991492 0.83 HDAC1 (0.72) NPC1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL846564 0.82 MEN1 (0.58) NPC1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL846030 0.81 KDR (0.67) NPC1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL846300 0.81 KDR (0.67) NPC1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL846074 0.81 KDR (0.67) NPC1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL846379 0.81 KDR (0.67) NPC1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL845852 0.81 MEN1 (0.57) NPC1SMN1; SMN2RAB9AKDM4EHSD17B10
SCHEMBL13991505 0.81 MEN1 (0.67) NPC1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL845964 0.80 KDR (0.68) NPC1SMN1; SMN2MAPTRAB9AKDM4E

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 12 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-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
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 1518/4885SMN1; SMN2 4426/4885MAPT 4519/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 NPC1 1518/4885SMN1; SMN2 4426/4885MAPT 4519/4885

“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.