SCHEMBL4839461

SCHEMBL4839461

O=C(CCCCCOc1ccccc1)c1nnc(-c2ccccn2)o1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.73
CES1 P23141 10/20 0.73
NCEH1 Q6PIU2 1/20 0.73
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53

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
SCHEMBL4836309 0.85 CES1 (1.00) FAAHCES1NCEH1
SCHEMBL2163056 0.85 CES1 (1.00) FAAHCES1NCEH1
SCHEMBL4837702 0.85 CES1 (1.00) FAAHCES1NCEH1
SCHEMBL4831663 0.85 CES1 (1.00) FAAHCES1NCEH1
SCHEMBL711249 0.81 FAAH (0.74) FAAHCES1
SCHEMBL1171686 0.79 HDAC1 (0.55) CES1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2163471 0.79 FAAH (1.00) FAAHCES1NCEH1
SCHEMBL2163462 0.79 FAAH (1.00) FAAHCES1NCEH1
SCHEMBL4835098 0.79 FAAH (1.00) FAAHCES1NCEH1
SCHEMBL1171713 0.78 HDAC1 (0.54) CES1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096931-A1 Oxadiazole ketone inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2008-04-24 US claimed
US-7351724-B2 Oxadiazole ketone inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2008-04-01 US claimed
EP-1812427-A1 OXADIAZOLE KETONE INHIBITORS OF FATTY ACID AMIDE HYDROLASE The Scripps Research Institute (US) 2007-08-01 EP claimed
US-20060100212-A1 Oxadiazole ketone inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2006-05-11 US claimed
WO-2006044617-A1 OXADIAZOLE KETONE INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2006-04-27 WO claimed
US-20080096931-A1 Oxadiazole ketone inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2008-04-24 US disclosed
US-20080096931-A1 Oxadiazole ketone inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2008-04-24 US disclosed
US-20080096931-A1 Oxadiazole ketone inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2008-04-24 US disclosed
US-7351724-B2 Oxadiazole ketone inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2008-04-01 US disclosed
US-7351724-B2 Oxadiazole ketone inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2008-04-01 US disclosed
US-7351724-B2 Oxadiazole ketone inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2008-04-01 US disclosed
EP-1812427-A1 OXADIAZOLE KETONE INHIBITORS OF FATTY ACID AMIDE HYDROLASE The Scripps Research Institute (US) 2007-08-01 EP disclosed
US-20060100212-A1 Oxadiazole ketone inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2006-05-11 US disclosed
WO-2006044617-A1 OXADIAZOLE KETONE INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2006-04-27 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-20060100212-A1 Oxadiazole ketone inhibitors of fatty acid amide hydrolase FAAH, FAAH2, HCRTR2 FAAH 1/4885CES1 60/4885NCEH1 22/4885
US-20080096931-A1 Oxadiazole ketone inhibitors of fatty acid amide hydrolase FAAH, FAAH2, HCRTR2 FAAH 1/4885CES1 60/4885NCEH1 22/4885

“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.