SCHEMBL3609066

SCHEMBL3609066

C[C@@](N)(CO)CCc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
AOC3 Q16853 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
IDO1 P14902 5/20 0.42
PNMT P11086 1/20 0.42
PKM P14618 1/20 0.41
KCNH2 Q12809 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
S1PR1 P21453 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3609070 1.00 TAAR1 (0.48) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL4707964 0.84 TAAR1 (0.55) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL9406726 0.82 TAAR1 (0.55) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL11460625 0.78 TAAR1 (0.50) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL9917315 0.77 TAAR1 (0.54) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL20814029 0.76 LIPG (0.50) S1PR1
SCHEMBL12215701 0.75 TAAR1 (0.52) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL9183600 0.74 TAAR1 (0.47) TAAR1SLC6A2AOC3SMN1; SMN2S1PR1
SCHEMBL5428396 0.74 TAAR1 (0.47) TAAR1SLC6A2AOC3SMN1; SMN2S1PR1
SCHEMBL3606752 0.73 LMNA (0.44) TAAR1SLC6A2SLC6A4SLC6A3AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 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 (3 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R TAAR1 1/4885SLC6A2 82/4885SLC6A4 149/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R TAAR1 1/4885SLC6A2 65/4885SLC6A4 111/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R TAAR1 1/4885SLC6A2 82/4885SLC6A4 149/4885

“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.