SCHEMBL2162164

SCHEMBL2162164

O=C(CCCCCCc1ccccc1)c1nnc(-c2ccco2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.64
FAAH O00519 3/20 0.64
DAGLA Q9Y4D2 2/20 0.56
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NCEH1 Q6PIU2 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL2161975 0.81 CES1 (0.65) CES1FAAHDAGLANCEH1
SCHEMBL2162113 0.79 FAAH (0.60) CES1FAAHALDH1A1SMN1; SMN2HDAC1
SCHEMBL2162115 0.79 FAAH (0.60) CES1FAAHALDH1A1SMN1; SMN2HDAC1
SCHEMBL2163117 0.78 CES1 (1.00) CES1FAAHNCEH1
SCHEMBL2163312 0.78 CES1 (0.65) CES1FAAHDAGLAALDH1A1SMN1; SMN2
SCHEMBL12398437 0.76 CES1 (0.70) CES1FAAHNCEH1
SCHEMBL2161955 0.76 CES1 (0.72) CES1FAAHDAGLA
SCHEMBL2161989 0.75 CES1 (0.61) CES1FAAHDAGLAALDH1A1NCEH1
SCHEMBL12398543 0.75 CES1 (1.00) CES1FAAHDAGLANCEH1
SCHEMBL2162062 0.75 CES1 (0.79) CES1FAAH

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

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

“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.