SCHEMBL695589

SCHEMBL695589

COc1ccc(-c2nc3cc[c]cc3o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 4/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MAPT P10636 7/20 0.49
ALDH1A1 P00352 3/20 0.49
APP P05067 3/20 0.49
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
PTPN2 P17706 2/20 0.47
PTPN1 P18031 2/20 0.47
PTPN5 P54829 2/20 0.47
THRB P10828 1/20 0.45
UTRN P46939 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL141648 0.80 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL27652500 0.80 HDAC6 (0.47) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL145632 0.80 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL1199992 0.78 PTPN2 (0.68) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL146007 0.77 PTPN2 (0.47) NPC1RAB9ASMN1; SMN2HDAC6MAPT
SCHEMBL12639218 0.76 MAPT (0.62) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL12639220 0.75 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL5226589 0.75 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53HDAC6
SCHEMBL2590822 0.75 GPR119 (0.53) PTPN1GPR119
SCHEMBL11561164 0.75 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53HDAC6

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 10 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

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 851/4885SMN1; SMN2 1895/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NPC1 187/4885RAB9A 851/4885SMN1; SMN2 1895/4885

“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.