SCHEMBL1759684

SCHEMBL1759684

CC(C)(C)OC(=O)N1[C@@H](CCc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)COC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CNR1 P21554 10/20 0.43
FPR2 P25090 1/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1759685 1.00 BRD4 (0.47) BRD4CNR1FPR2NPC1RAB9A
SCHEMBL2695273 0.92 BRD4 (0.46) BRD4CNR1FPR2
SCHEMBL2695270 0.92 BRD4 (0.46) BRD4CNR1FPR2
SCHEMBL503285 0.92 BRD4 (0.49) BRD4NPC1RAB9A
SCHEMBL503286 0.92 BRD4 (0.49) BRD4NPC1RAB9A
SCHEMBL1759661 0.92 RAB9A (0.45) BRD4NPC1RAB9A
SCHEMBL1759657 0.92 RAB9A (0.45) BRD4NPC1RAB9A
SCHEMBL1759968 0.91 BRD4 (0.39) BRD4NPC1RAB9A
SCHEMBL1759973 0.91 BRD4 (0.39) BRD4NPC1RAB9A
SCHEMBL1760160 0.90 BRD4 (0.44) BRD4

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 BRD4 1691/4885CNR1 32/4885FPR2 2415/4885

“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.