SCHEMBL2162185

SCHEMBL2162185

O=C(CCCCCCc1ccccc1)c1nnc(-c2cccs2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.55
DAGLA Q9Y4D2 4/20 0.55
FAAH O00519 2/20 0.55
PLA2G4A P47712 1/20 0.48
NCEH1 Q6PIU2 2/20 0.47
ACHE P22303 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
CBS P35520 1/20 0.44

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
SCHEMBL2161992 0.78 CES1 (0.58) CES1DAGLAFAAHNCEH1
SCHEMBL2162102 0.77 CES1 (0.60) CES1DAGLAFAAHNCEH1
SCHEMBL12398427 0.76 DAGLA (0.59) CES1DAGLAFAAHNCEH1ACHE
SCHEMBL12398556 0.76 DAGLA (0.59) CES1DAGLAFAAHNCEH1ACHE
SCHEMBL2163312 0.75 CES1 (0.65) CES1DAGLAFAAHPLA2G4A
SCHEMBL2162089 0.75 CES1 (0.57) CES1DAGLAFAAHPLA2G4A
SCHEMBL2162714 0.75 FAAH (0.41) CES1DAGLAFAAH
SCHEMBL2162221 0.74 CES1 (0.72) CES1DAGLAFAAHNCEH1
SCHEMBL2162742 0.74 CES1 (0.67) CES1DAGLAFAAHPLA2G4A
SCHEMBL2162851 0.73 CES1 (0.64) CES1DAGLAFAAHNCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US claimed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
WO-2010005572-A2 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-14 WO disclosed
WO-2010005572-A2 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-14 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-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS FAAH, FAAH2, FADS1 CES1 11/4885DAGLA 289/4885FAAH 1/4885

“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.