SCHEMBL2162009

SCHEMBL2162009

O=C(CCCCCCc1ccccc1)c1nnn(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.72
FAAH O00519 2/20 0.72
NCEH1 Q6PIU2 1/20 0.55
DAGLA Q9Y4D2 2/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ACHE P22303 1/20 0.48
SGMS1 Q86VZ5 1/20 0.48
SGMS2 Q8NHU3 1/20 0.48
ADORA2A P29274 1/20 0.46

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
SCHEMBL2162765 0.84 CES1 (1.00) CES1FAAHNCEH1DAGLA
SCHEMBL2163299 0.83 CES1 (0.64) CES1FAAHNCEH1DAGLA
SCHEMBL2163014 0.83 CES1 (0.64) CES1FAAHNCEH1DAGLA
SCHEMBL2161866 0.83 CES1 (0.63) CES1FAAHNCEH1DAGLAMAPT
SCHEMBL3229757 0.76 HPGD (0.50) CES1FAAHDAGLAADORA2A
SCHEMBL2162217 0.72 FAAH (0.41) CES1FAAH
SCHEMBL2161929 0.71 CES1 (1.00) CES1FAAHNCEH1DAGLAMAPT
SCHEMBL24712427 0.70 HPGD (0.51) MAPTADORA2A
SCHEMBL9242650 0.70 TDP1 (0.85) CES1FAAHMAPTRXFP1ACHE
SCHEMBL8559822 0.70 TDP1 (0.85) CES1FAAHMAPTRXFP1ACHE

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 8 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

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 1/4885NCEH1 17/4885

“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.