SCHEMBL4841356

SCHEMBL4841356

O=C(CCCCCCc1ccccc1)c1nnc(-c2ccncc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 13/20 1.00
FAAH O00519 8/20 1.00
NCEH1 Q6PIU2 1/20 0.69
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.59
DAGLA Q9Y4D2 1/20 0.57

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
SCHEMBL4838333 0.94 CES1 (1.00) CES1FAAHNCEH1ALDH1A1GAA
SCHEMBL4841486 0.88 CES1 (1.00) CES1FAAHNCEH1DAGLA
SCHEMBL4839586 0.88 CES1 (1.00) CES1FAAHNCEH1DAGLA
SCHEMBL15503837 0.83 CES1 (0.79) CES1FAAHNCEH1ALDH1A1GAA
SCHEMBL4836309 0.82 CES1 (1.00) CES1FAAHNCEH1DAGLA
SCHEMBL2163056 0.82 CES1 (1.00) CES1FAAHNCEH1DAGLA
SCHEMBL4831663 0.82 CES1 (1.00) CES1FAAHNCEH1DAGLA
SCHEMBL4837702 0.82 CES1 (1.00) CES1FAAHNCEH1DAGLA
SCHEMBL2162221 0.81 CES1 (0.72) CES1FAAHNCEH1DAGLA
SCHEMBL12398543 0.80 CES1 (1.00) CES1FAAHNCEH1DAGLA

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 CES1 60/4885FAAH 1/4885NCEH1 22/4885
US-20080096931-A1 Oxadiazole ketone inhibitors of fatty acid amide hydrolase FAAH, FAAH2, HCRTR2 CES1 60/4885FAAH 1/4885NCEH1 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.