SCHEMBL2162797

SCHEMBL2162797

OC(CCCCCCc1ccccc1)c1nc(Cl)co1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.55
FAAH O00519 10/20 0.53
TRPA1 O75762 1/20 0.42
CES1 P23141 1/20 0.40

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
SCHEMBL2163273 0.83 DAGLA (0.55) DAGLAFAAHTRPA1CES1
SCHEMBL2162419 0.83 FAAH (0.53) DAGLAFAAHTRPA1
SCHEMBL2163384 0.83 FAAH (0.53) DAGLAFAAHTRPA1CES1
SCHEMBL2162406 0.82 DAGLA (0.57) DAGLAFAAHCES1
SCHEMBL2162446 0.80 FAAH (0.60) DAGLAFAAHCES1
SCHEMBL2163263 0.80 FAAH (0.50) DAGLAFAAHTRPA1
SCHEMBL2162511 0.80 DAGLA (0.59) DAGLAFAAHTRPA1CES1
SCHEMBL2164090 0.80 FAAH (0.53) DAGLAFAAHCES1
SCHEMBL2164108 0.79 DAGLA (0.61) DAGLAFAAHCES1
SCHEMBL4282710 0.78 FAAH (0.51) DAGLAFAAHTRPA1CES1

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-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-11-29 US disclosed
US-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-11-29 US disclosed
US-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-11-29 US disclosed
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-28 US disclosed
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-28 US disclosed
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-28 US disclosed
WO-2009154785-A2 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-23 WO disclosed
WO-2009154785-A2 C4-SUBSTITUTED ALPHA-KETO OXAZOLES THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-23 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-20120302607-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES ACACA, AKR1C4, HSD17B12 DAGLA 921/4885FAAH 16/4885TRPA1 4015/4885
US-20110184026-A1 C4-SUBSTITUTED ALPHA-KETO OXAZOLES ACACA, AKR1C4, HSD17B12 DAGLA 853/4885FAAH 17/4885TRPA1 4035/4885

“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.