SCHEMBL3613402

SCHEMBL3613402

COC(=O)C(N)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
ACACB O00763 2/20 0.50
ACACA Q13085 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SRD5A2 P31213 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP10 Q53GL7 1/20 0.47
LTA4H P09960 4/20 0.46
NPC1 O15118 1/20 0.45
CRHBP P24387 1/20 0.45
RAB9A P51151 1/20 0.45
CRHR2 Q13324 1/20 0.45
TARS1 P26639 1/20 0.45
PTGS1 P23219 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL3622668 0.86 PTGS1 (0.59) MAPK1ACACBACACAKMT2APTGS1
SCHEMBL283419 0.86 KMT2A (0.64) MAPK1SMN1; SMN2KMT2APTGS1ALDH1A1
SCHEMBL29841724 0.86 KMT2A (0.64) MAPK1SMN1; SMN2KMT2APTGS1ALDH1A1
SCHEMBL318460 0.86 KMT2A (0.64) MAPK1SMN1; SMN2KMT2APTGS1ALDH1A1
SCHEMBL318862 0.86 KMT2A (0.64) MAPK1SMN1; SMN2KMT2APTGS1ALDH1A1
Hydrochloric Acid SCHEMBL1143309 0.84 KMT2A (0.62) MAPK1SMN1; SMN2KMT2APTGS1ALDH1A1
Hydrochloric Acid SCHEMBL852495 0.84 KMT2A (0.62) MAPK1SMN1; SMN2KMT2APTGS1ALDH1A1
Hydrochloric Acid SCHEMBL852494 0.84 KMT2A (0.62) MAPK1SMN1; SMN2KMT2APTGS1ALDH1A1
SCHEMBL31059195 0.84 NPC1 (0.54) ACACBACACAHPGDSMN1; SMN2SRD5A2
SCHEMBL7252180 0.84 KMT2A (0.48) MAPK1HPGDSMN1; SMN2KMT2AALDH1A1

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 MAPK1 1563/4885ACACB 1985/4885ACACA 1909/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R MAPK1 1835/4885ACACB 1988/4885ACACA 2290/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R MAPK1 1563/4885ACACB 1985/4885ACACA 1909/4885

“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.