SCHEMBL700363

SCHEMBL700363

[c]1cccc2[nH]c(-c3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
GAA P10253 3/20 0.55
ALDH1A1 P00352 7/20 0.49
POLB P06746 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 8/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
GFER P55789 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
RCE1 Q9Y256 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL27568219 0.86 PKN1 (0.56) NPC1RAB9AGAAALDH1A1KDM4E
SCHEMBL700165 0.85 NPC1 (0.57) NPC1RAB9AGAAALDH1A1POLB
SCHEMBL699592 0.85 GAA (0.51) NPC1RAB9AGAAALDH1A1KDM4E
SCHEMBL27587356 0.82 KDM4E (0.59) NPC1RAB9AALDH1A1POLBKDM4E
SCHEMBL698248 0.81 MGAM (0.56) NPC1RAB9AGAAALDH1A1KDM4E
SCHEMBL5541731 0.80 DHODH (0.39) NPC1RAB9AGAAALDH1A1KDM4E
SCHEMBL698815 0.77 NPC1 (0.59) NPC1RAB9AGAAALDH1A1KDM4E
SCHEMBL699847 0.77 ALDH1A1 (0.59) NPC1RAB9AGAAALDH1A1KDM4E
SCHEMBL2785993 0.74 QPCT (0.37) NPC1RAB9AGAAALDH1A1POLB
SCHEMBL5539263 0.73 HPGD (0.58) NPC1RAB9AGAAALDH1A1KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8604017-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-12-10 US disclosed
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5116708-A HOLE TRANSPORTING MATERIAL NIPPON OIL COMPANY, LIMITED (JP) 1992-05-26 US disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0372979-A2 Hole transporting material NIPPON OIL COMPANY, LIMITED (JP) 1990-06-13 EP 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-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885GAA 22/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885GAA 22/4885

“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.