SCHEMBL3606752

SCHEMBL3606752

COC(=O)[C@@](C)(N)CCc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
AOC3 Q16853 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
HIF1A Q16665 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39

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
SCHEMBL3606756 1.00 LMNA (0.44) LMNATAAR1NPC1RAB9ASLC6A2
SCHEMBL8493242 0.78 KCNN4 (0.44) LMNANPC1RAB9AHIF1AMEN1
SCHEMBL9406726 0.76 TAAR1 (0.55) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL9767852 0.75 NPC1 (0.46) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL3609066 0.73 TAAR1 (0.48) LMNATAAR1NPC1RAB9ASLC6A2
SCHEMBL3609070 0.73 TAAR1 (0.48) LMNATAAR1NPC1RAB9ASLC6A2
SCHEMBL27925855 0.73 SLC16A3 (0.51) TAAR1NPC1RAB9ASLC6A2SLC6A4
SCHEMBL28150740 0.73 TAAR1 (0.45) LMNATAAR1NPC1RAB9ASLC6A2
SCHEMBL11460625 0.72 TAAR1 (0.50) TAAR1NPC1RAB9ASLC6A2SLC6A4
SCHEMBL16796683 0.72 NPC1 (0.46) LMNANPC1RAB9AMEN1KMT2A

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
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
CN-101600700-A Novel 2-aminooxazolines as TAAR1 ligands for CNS disorders HOFFMANN LA ROCHE (CH) 2009-12-09 CN 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 LMNA 3654/4885TAAR1 1/4885NPC1 1046/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R LMNA 4130/4885TAAR1 1/4885NPC1 1119/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R LMNA 3654/4885TAAR1 1/4885NPC1 1046/4885

“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.