SCHEMBL1759657

SCHEMBL1759657

CC(C)(C)OC(=O)N1[C@@H](CCc2ccc(NC(=O)Nc3ccc(Cl)cn3)cc2)COC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
BRD4 O60885 1/20 0.41
NAMPT P43490 1/20 0.39
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1759661 1.00 RAB9A (0.45) RAB9ASMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL1759684 0.92 BRD4 (0.47) RAB9ABRD4NPC1
SCHEMBL1759685 0.92 BRD4 (0.47) RAB9ABRD4NPC1
SCHEMBL1759933 0.90 BRD4 (0.41) SMN1; SMN2KMT2ABRD4
SCHEMBL1759936 0.90 BRD4 (0.41) SMN1; SMN2KMT2ABRD4
SCHEMBL17135587 0.88 RAB9A (0.49) RAB9ASMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL1759968 0.85 BRD4 (0.39) RAB9ASMN1; SMN2LMNAKMT2ABRD4
SCHEMBL1759973 0.85 BRD4 (0.39) RAB9ASMN1; SMN2LMNAKMT2ABRD4
SCHEMBL2695270 0.84 BRD4 (0.46) SMN1; SMN2BRD4GAA
SCHEMBL2695273 0.84 BRD4 (0.46) SMN1; SMN2BRD4GAA

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 2163/4885L3MBTL1 3389/4885

“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.