SCHEMBL691774

SCHEMBL691774

O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CC(O)C1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.65
NPC1 O15118 3/20 0.54
RAB9A P51151 4/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GPR55 Q9Y2T6 1/20 0.50
LMNA P02545 4/20 0.49
POLB P06746 1/20 0.48
HTR2B P41595 1/20 0.48
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL24163201 0.88 MGLL (0.65) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL25414378 0.83 LMNA (0.59) MGLLNPC1RAB9AKMT2ALMNA
SCHEMBL698545 0.81 NPC1 (0.61) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL3776406 0.80 MGLL (1.00) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL707233 0.77 MGLL (0.82) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL24162877 0.76 NPC1 (0.68) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL22544578 0.75 MGLL (0.57) MGLLNPC1MEN1KMT2ALMNA
SCHEMBL22530394 0.74 NPC1 (0.53) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL20898011 0.74 MGLL (1.00) MGLL
SCHEMBL29784220 0.74 MGLL (1.00) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729064-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-20 US disclosed
US-20130296297-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-07 US disclosed
US-8435977-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-07 US disclosed
EP-2421535-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100324016-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124122-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES 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-20100324016-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC MGLL 1/4885NPC1 241/4885RAB9A 1813/4885
US-20130296297-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC MGLL 1/4885NPC1 241/4885RAB9A 1813/4885

“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.