SCHEMBL1760216

SCHEMBL1760216

N[C@@H](/C=C/c1ccc(Br)cc1)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
MMP9 P14780 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
APP P05067 1/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
SLC5A1 P13866 1/20 0.33

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
SCHEMBL1760249 1.00 MAPT (0.47) MAPTCYP2C19MEN1KMT2ACYP3A4
SCHEMBL1760250 1.00 MAPT (0.47) MAPTCYP2C19MEN1KMT2ACYP3A4
SCHEMBL24658442 0.81 APP (0.37) APP
SCHEMBL7302041 0.80 HTR2A (0.46) GRIK1GRIK2
SCHEMBL7302039 0.80 HTR2A (0.46) GRIK1GRIK2
SCHEMBL1759802 0.74 APP (0.51) MAPTMEN1KMT2AGRIK1GRIK2
SCHEMBL1772978 0.74 APP (0.51) MAPTMEN1KMT2AGRIK1GRIK2
SCHEMBL1772975 0.74 APP (0.51) MAPTMEN1KMT2AGRIK1GRIK2
SCHEMBL8783725 0.74 MAPT (0.52) MAPTCYP2C19MEN1KMT2ACYP3A4
SCHEMBL8783722 0.74 MAPT (0.52) MAPTCYP2C19MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
EP-2635560-B1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-30 EP disclosed
US-8673950-B2 Dihydrooxazol-2-amine derivatives HOFFMANN-LAROCHE INC. (US) 2014-03-18 US disclosed
US-8673950-B2 Dihydrooxazol-2-amine derivatives HOFFMANN-LAROCHE INC. (US) 2014-03-18 US disclosed
US-20130345241-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2635560-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2012059371-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 WO disclosed
US-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-03 US disclosed
US-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-05-03 US disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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 (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-20120108609-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 MAPT 205/4885CYP2C19 382/4885MEN1 1676/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R MAPT 231/4885CYP2C19 356/4885MEN1 1598/4885
US-20130345241-A1 DIHYDROOXAZOL-2-AMINE DERIVATIVES TAAR1, TAAR5, HCRTR1 MAPT 204/4885CYP2C19 363/4885MEN1 1651/4885

“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.