SCHEMBL4430795

SCHEMBL4430795

CCOC(=O)c1ccc2ncc(C)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.57
RAB9A P51151 5/20 0.57
ALDH1A1 P00352 5/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
MAOB P27338 2/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 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
SCHEMBL31419342 0.92 NPC1 (0.53) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL27600818 0.87 NPC1 (0.56) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL21355583 0.86 NPC1 (0.55) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL31435495 0.85 HTT (0.61) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL13597529 0.85 HTT (0.61) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL27668254 0.82 NPC1 (0.52) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL31419331 0.82 MAOB (0.55) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL21355246 0.81 NPC1 (0.51) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL29793278 0.81 MAOB (0.56) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL26680685 0.81 MAOB (0.56) NPC1RAB9AALDH1A1MAPTKDM4E

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
WO-2021066922-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2021-04-08 WO disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
EP-1332133-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 EP disclosed
US-7115630-B2 Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-03 US disclosed
US-20060083676-A1 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTIA N.V. (BE) 2006-04-20 US disclosed
CN-1703403-A Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2005-11-30 CN disclosed
US-20050209273-A1 Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-22 US disclosed
EP-1492571-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-05 EP disclosed
US-20040082592-A1 Metabotropic glutamate receptor antagonists JANSSEN-CILAG SA (FR) 2004-04-29 US disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 WO disclosed
EP-1332133-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-08-06 EP disclosed
WO-2002028837-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-11 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 (3 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-20040082592-A1 Metabotropic glutamate receptor antagonists GRM3, GRM1, GRIN3A NPC1 1760/4885RAB9A 4375/4885ALDH1A1 1904/4885
US-20060083676-A1 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands GRM3, GRM1, GRM2 NPC1 2238/4885RAB9A 3337/4885ALDH1A1 2136/4885
US-20050209273-A1 Metabotropic glutamate receptor antagonists GRM3, GRM1, GRIN3A NPC1 1628/4885RAB9A 4158/4885ALDH1A1 2026/4885

“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.