SCHEMBL1581690

SCHEMBL1581690

O=C(O)N1CCC(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
FAAH O00519 2/20 0.50
MGLL Q99685 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
CHRM2 P08172 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48

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
SCHEMBL29453749 1.00 ACHE (0.56) ACHEFAAHMGLLMEN1KMT2A
SCHEMBL1581891 0.86 GRIN2D (0.50) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16825166 0.86 MEN1 (0.54) MEN1KMT2A
SCHEMBL1581417 0.84 CYP1A2 (0.52) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2636547 0.83 MEN1 (0.68) FAAHMGLLMEN1KMT2A
SCHEMBL3640283 0.81 KDM4E (0.54) ACHE
SCHEMBL5749445 0.81 MEN1 (0.57) FAAHMGLLMEN1KMT2A
SCHEMBL3347967 0.80 FAAH (0.76) FAAHMGLLMEN1KMT2A
SCHEMBL7231605 0.80 ACHE (0.70) ACHEMGLLMEN1KMT2ACHRM2
SCHEMBL8625212 0.79 CYP1A2 (0.52) ACHEKMT2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101686979-A The urea modulators that the heteroaryl of fatty acid amide hydrolase replaces JANSSEN PHARMACEUTICA NV 2010-03-31 CN claimed
EP-2164493-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-03-24 EP claimed
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-03-05 US claimed
WO-2008153752-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 WO claimed
EP-1720872-B1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2011-04-20 EP disclosed
CN-101686979-A The urea modulators that the heteroaryl of fatty acid amide hydrolase replaces JANSSEN PHARMACEUTICA NV 2010-03-31 CN disclosed
EP-2164493-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-03-24 EP disclosed
CN-100549012-C Aryl-and heteroaryl-piperidinecarboxylic acid derivatives, their preparation and use as FAAH enzyme inhibitors SANOFI AVENTIS (FR) 2009-10-14 CN disclosed
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-03-05 US disclosed
WO-2008153752-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 WO disclosed
CN-1922177-A Aryl-and heteroaryl-piperidinecarboxylic acid derivatives, their preparation and use as FAAH enzyme inhibitors SANOFI AVENTIS (FR) 2007-02-28 CN disclosed
EP-1720872-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090347-A1 ARYL AND HETEROARYL-PIPERIDINECARBOXYLATE DERIVATIVES, THE PREPARATION AND THE USE THEREOF IN THE FORM OF FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 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-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 ACHE 500/4885FAAH 1/4885MGLL 74/4885

“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.