SCHEMBL1836236

SCHEMBL1836236

CC(C)(CCC(N)CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
KIF11 P52732 15/20 0.42
RIPK1 Q13546 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL1836235 1.00 TAAR1 (0.47) TAAR1KIF11RIPK1MAPTKMT2A
SCHEMBL10995477 0.76 TAAR1 (0.48) TAAR1KIF11RIPK1MAPTKMT2A
SCHEMBL6681496 0.75 TAAR1 (0.50) TAAR1KIF11RIPK1KMT2A
SCHEMBL27631554 0.75 TAAR1 (0.43) TAAR1KIF11MAPTKMT2A
SCHEMBL873051 0.74 TAAR1 (0.54) TAAR1MAPTKMT2A
SCHEMBL5747744 0.74 KIF11 (0.47) TAAR1KIF11RIPK1MAPTKMT2A
SCHEMBL3198382 0.74 TAAR1 (0.46) TAAR1KIF11RIPK1
SCHEMBL3368788 0.73 TAAR1 (0.64) TAAR1KIF11MAPTKMT2A
Ammonia Solution, Strong SCHEMBL28211119 0.72 TAAR1 (0.52) TAAR1MAPTKMT2A
SCHEMBL15357891 0.72 TAAR1 (0.47) TAAR1KIF11RIPK1KMT2A

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 TAAR1 25/4885KIF11 2362/4885RIPK1 4478/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R TAAR1 25/4885KIF11 2362/4885RIPK1 4478/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R TAAR1 25/4885KIF11 2362/4885RIPK1 4478/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R TAAR1 25/4885KIF11 2362/4885RIPK1 4478/4885

“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.