SCHEMBL1759968

SCHEMBL1759968

CC(C)(C)OC(=O)N1[C@@H](CCc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)COC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 3/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
MCL1 Q07820 1/20 0.39
EPHX2 P34913 3/20 0.39
EPHX1 P07099 2/20 0.39
POLB P06746 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE3A Q14432 1/20 0.38
NLRP3 Q96P20 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
SCHEMBL1759973 1.00 BRD4 (0.39) BRD4MEN1KMT2AMAPTLMNA
SCHEMBL1759684 0.91 BRD4 (0.47) BRD4NPC1RAB9A
SCHEMBL1759685 0.91 BRD4 (0.47) BRD4NPC1RAB9A
SCHEMBL18890708 0.88 OPRK1 (0.41) BRD4KMT2AERBB2EPHA2KDR
SCHEMBL17135520 0.87 EPHX2 (0.43) MEN1KMT2AMAPTLMNANPC1
SCHEMBL1759661 0.85 RAB9A (0.45) BRD4KMT2ALMNANPC1RAB9A
SCHEMBL1759657 0.85 RAB9A (0.45) BRD4KMT2ALMNANPC1RAB9A
SCHEMBL2695273 0.83 BRD4 (0.46) BRD4MAPTHTTSMN1; SMN2
SCHEMBL2695270 0.83 BRD4 (0.46) BRD4MAPTHTTSMN1; SMN2
SCHEMBL503286 0.83 BRD4 (0.49) BRD4NPC1HTTRAB9ASMN1; SMN2

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 1691/4885MEN1 1598/4885KMT2A 2453/4885

“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.