SCHEMBL2162969

SCHEMBL2162969

O=C(CCCCCCc1ccccc1)c1nnc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 0.58
DAGLA Q9Y4D2 3/20 0.58
NCEH1 Q6PIU2 2/20 0.57
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ACHE P22303 1/20 0.52
SGMS1 Q86VZ5 1/20 0.52
SGMS2 Q8NHU3 1/20 0.52
FAAH O00519 2/20 0.50
DPP4 P27487 1/20 0.50
CBS P35520 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
SCHEMBL12398427 0.77 DAGLA (0.59) CES1DAGLANCEH1MAPTRXFP1
SCHEMBL8559822 0.74 TDP1 (0.85) CES1MAPTRXFP1ACHESGMS1
SCHEMBL9242650 0.74 TDP1 (0.85) CES1MAPTRXFP1ACHESGMS1
SCHEMBL7426101 0.74 TDP1 (0.85) CES1MAPTRXFP1ACHESGMS1
SCHEMBL2161875 0.73 CES1 (1.00) CES1DAGLANCEH1MAPTRXFP1
SCHEMBL2161990 0.72 CES1 (1.00) CES1DAGLANCEH1FAAH
SCHEMBL3070677 0.72 TDP1 (0.89) CES1MAPTRXFP1ACHESGMS1
SCHEMBL31752166 0.72 NPC1 (0.54) CES1DAGLANCEH1FAAH
SCHEMBL503837 0.71 MAPT (1.00) CES1MAPTRXFP1FAAH
SCHEMBL1008045 0.71 MAPT (1.00) CES1MAPTRXFP1FAAH

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 10 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
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 11/4885DAGLA 289/4885NCEH1 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.