SCHEMBL1833121

SCHEMBL1833121

C/C(=C\C[C@H](N)CO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PLAU P00749 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 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
SCHEMBL1833125 1.00 KDM1A (0.39) KDM1AMTNR1AMTNR1BPLAUCYP1A2
SCHEMBL1833126 1.00 KDM1A (0.39) KDM1AMTNR1AMTNR1BPLAUCYP1A2
SCHEMBL9723648 0.81 HTR2A (0.47) KDM1AHTR2A
SCHEMBL2171729 0.78 KDM1A (0.47) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL3588721 0.78 KDM1A (0.47) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL2171728 0.78 KDM1A (0.47) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL14837249 0.77 KDM1A (0.39) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL10622948 0.76 LMNA (0.38) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL11704380 0.73 MAPT (0.43) KDM1A
SCHEMBL11704373 0.73 MAPT (0.43) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 US disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 US disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 US disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 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 (4 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R KDM1A 2418/4885MTNR1A 29/4885MTNR1B 26/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R KDM1A 2418/4885MTNR1A 29/4885MTNR1B 26/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R KDM1A 2418/4885MTNR1A 29/4885MTNR1B 26/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R KDM1A 2418/4885MTNR1A 29/4885MTNR1B 26/4885

“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.