SCHEMBL2184029

SCHEMBL2184029

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.61
TRPV1 Q8NER1 2/20 0.40
MGLL Q99685 1/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
LIPE Q05469 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSPO P30536 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL17753657 0.90 FAAH (0.49) FAAHTRPV1MGLLGAAHPGD
SCHEMBL2179538 0.80 BCHE (0.48) FAAHTRPV1MGLLHDAC1HDAC6
SCHEMBL17753683 0.79 FAAH (0.57) FAAHTRPV1MGLL
SCHEMBL2183327 0.76 FAAH (1.00) FAAHTRPV1MGLLLMNAKDM4E
SCHEMBL1916590 0.73 HDAC1 (0.47) HDAC1HDAC6KDM4EKMT2AGAA
SCHEMBL11284172 0.72 NR1H2 (0.50) HDAC1HDAC6KDM4EKMT2AGAA
SCHEMBL11272418 0.71 GAA (0.52) HDAC1HDAC6KMT2AGAAHPGD
SCHEMBL427271 0.71 LIPE (0.58) MGLLACHELIPELMNAKMT2A
SCHEMBL9377725 0.70 EGFR (0.51) FAAHHDAC6ACHEMEN1KMT2A
SCHEMBL427450 0.69 TRPV1 (0.48) TRPV1MGLLBCHEACHELIPE

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-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

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 FAAH 1/4885TRPV1 319/4885MGLL 3/4885

“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.