SCHEMBL1759879

SCHEMBL1759879

CC(C)(C)OC(=O)N1C(CCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)COC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL1759877 1.00 RAB9A (0.43) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL503285 0.89 BRD4 (0.49) RAB9ASMN1; SMN2BRD4
SCHEMBL503286 0.89 BRD4 (0.49) RAB9ASMN1; SMN2BRD4
SCHEMBL17135551 0.88 RAB9A (0.47) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2695057 0.87 BRD4 (0.39) RAB9AMEN1KMT2AALDH1A1BRD4
SCHEMBL2695063 0.87 BRD4 (0.39) RAB9AMEN1KMT2AALDH1A1BRD4
SCHEMBL1759933 0.87 BRD4 (0.41) SMN1; SMN2MEN1KMT2AMAPTSLC6A3
SCHEMBL1759936 0.87 BRD4 (0.41) SMN1; SMN2MEN1KMT2AMAPTSLC6A3
SCHEMBL1759685 0.83 BRD4 (0.47) RAB9ABRD4
SCHEMBL1759684 0.83 BRD4 (0.47) RAB9ABRD4

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 5 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
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-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 (1 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R RAB9A 2356/4885SMN1; SMN2 2163/4885MEN1 1598/4885

“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.