SCHEMBL503285

SCHEMBL503285

CC(C)(C)OC(=O)N1[C@@H](CCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)COC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CCR2 P41597 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
SCHEMBL503286 1.00 BRD4 (0.49) BRD4SMN1; SMN2HTTNPSR1NPC1
SCHEMBL1759685 0.92 BRD4 (0.47) BRD4NPC1RAB9A
SCHEMBL1759684 0.92 BRD4 (0.47) BRD4NPC1RAB9A
SCHEMBL2695273 0.90 BRD4 (0.46) BRD4SMN1; SMN2HTTNPSR1
SCHEMBL2695270 0.90 BRD4 (0.46) BRD4SMN1; SMN2HTTNPSR1
SCHEMBL1759879 0.89 RAB9A (0.43) BRD4SMN1; SMN2RAB9A
SCHEMBL1759877 0.89 RAB9A (0.43) BRD4SMN1; SMN2RAB9A
SCHEMBL1759933 0.89 BRD4 (0.41) BRD4SMN1; SMN2
SCHEMBL1759936 0.89 BRD4 (0.41) BRD4SMN1; SMN2
SCHEMBL1760161 0.88 BRD4 (0.44) BRD4SMN1; SMN2NPSR1

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-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-9132136-B2 Pharmaceutical combination HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 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-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 WO disclosed
US-20120028964-A1 PHARMACEUTICAL COMBINATION SEMINIS VEGETABLE SEEDS, INC. 2012-02-02 US 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 (3 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-20120028964-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R BRD4 967/4885SMN1; SMN2 3484/4885HTT 2881/4885
US-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R BRD4 967/4885SMN1; SMN2 3484/4885HTT 2881/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R BRD4 1691/4885SMN1; SMN2 2163/4885HTT 918/4885

“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.