SCHEMBL2081401

SCHEMBL2081401

COc1cc(N(Cc2ccc(Cl)cc2)CC2COC(N)=N2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
LTC4S Q16873 1/20 0.43

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
SCHEMBL2081400 1.00 TAAR1 (0.52) TAAR1LTC4S
SCHEMBL2081964 0.92 TAAR1 (0.52) TAAR1
SCHEMBL2081963 0.92 TAAR1 (0.52) TAAR1
SCHEMBL2079030 0.92 TAAR1 (0.52) TAAR1LTC4S
SCHEMBL2079027 0.92 TAAR1 (0.52) TAAR1LTC4S
SCHEMBL2081488 0.87 TAAR1 (0.55) TAAR1
SCHEMBL2083749 0.87 TAAR1 (0.55) TAAR1
SCHEMBL2081492 0.87 TAAR1 (0.55) TAAR1
SCHEMBL2080160 0.86 TAAR1 (0.65) TAAR1
SCHEMBL2079762 0.86 TAAR1 (0.65) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121641-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-7902238-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-23 US 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-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 TAAR1 1/4885LTC4S 2188/4885

“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.