SCHEMBL3606682

SCHEMBL3606682

CC(C)(C)OC(=O)N1[C@H](CSc2nc3ccccc3s2)COC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
HPGD P15428 6/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CTSK P43235 1/20 0.44
ALDH1A1 P00352 9/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
RECQL P46063 2/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
GAA P10253 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 3/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL1834024 1.00 MAPT (0.46) MAPTHPGDLMNAKDM4ECTSK
SCHEMBL1834020 1.00 MAPT (0.46) MAPTHPGDLMNAKDM4ECTSK
SCHEMBL6735704 0.81 CYP1A2 (0.46) MAPTLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL1760389 0.81 ALDH1A1 (0.38) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL1760391 0.81 ALDH1A1 (0.38) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL3619842 0.81 ALDH1A1 (0.38) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL26505371 0.76 ALDH1A1 (0.48) MAPTHPGDLMNAKDM4ECTSK
SCHEMBL26097035 0.76 ALDH1A1 (0.48) MAPTHPGDLMNAKDM4ECTSK
SCHEMBL6732088 0.76 GPR119 (0.40) HPGDNPC1RAB9AAPEX1CYP1A2
SCHEMBL1834016 0.75 GPR119 (0.40) HPGDNPC1RAB9ACYP1A2CYP2C19

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 MAPT 466/4885HPGD 3898/4885LMNA 3654/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R MAPT 538/4885HPGD 3835/4885LMNA 4130/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R MAPT 466/4885HPGD 3898/4885LMNA 3654/4885

“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.