SCHEMBL2179538

SCHEMBL2179538

CN(C)C(=O)n1cnc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
LIPE Q05469 1/20 0.48
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
MGLL Q99685 4/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
LMNA P02545 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL427640 0.85 KMT2A (0.43) BCHEACHELIPEMGLLMEN1
SCHEMBL1916590 0.83 HDAC1 (0.47) HDAC1HDAC6KMT2ANR1H2NR1H3
SCHEMBL11284172 0.81 NR1H2 (0.50) HDAC1HDAC6KMT2ANR1H2NR1H3
SCHEMBL2184029 0.80 FAAH (0.61) BCHEACHELIPEHDAC1HDAC6
SCHEMBL427271 0.78 LIPE (0.58) ACHELIPEMGLLKMT2ALMNA
SCHEMBL11272418 0.77 GAA (0.52) HDAC1HDAC6KMT2ANR1H2NR1H3
SCHEMBL7901051 0.77 HDAC1 (0.44) HDAC1HDAC6MEN1KMT2ANR1H2
SCHEMBL427525 0.77 PIK3C3 (0.38) HDAC1HDAC6MGLL
SCHEMBL426879 0.77 PARP10 (0.47) MGLLKMT2AALDH1A1
SCHEMBL424347 0.76 LIPE (0.56) BCHEACHELIPEMGLLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160139162-A1 Inhibitors Of Fatty Acid Amide Hydrolase And Monoacylglycerol Lipase For Modulation Of Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2016-05-19 US disclosed
US-20160139162-A1 Inhibitors Of Fatty Acid Amide Hydrolase And Monoacylglycerol Lipase For Modulation Of Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2016-05-19 US disclosed
US-20160139162-A1 Inhibitors Of Fatty Acid Amide Hydrolase And Monoacylglycerol Lipase For Modulation Of Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2016-05-19 US disclosed
US-9271962-B2 Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2016-03-01 US disclosed
US-9271962-B2 Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2016-03-01 US disclosed
US-9271962-B2 Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2016-03-01 US disclosed
US-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-07-07 US disclosed
US-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-07-07 US disclosed
US-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-07-07 US disclosed
WO-2009117444-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE AND MONOACYLGLYCEROL LIPASE FOR MODULATION OF CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY (US) 2009-09-24 WO disclosed
WO-2009117444-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE AND MONOACYLGLYCEROL LIPASE FOR MODULATION OF CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY (US) 2009-09-24 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 (1 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-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors FAAH, FAAH2, MGLL BCHE 183/4885ACHE 137/4885LIPE 11/4885

“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.