SCHEMBL1760138

SCHEMBL1760138

CC(C)(C)c1cc(C(=O)Nc2ccc(CC[C@H]3COC(N)=N3)cc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL1760142 1.00 ALDH1A1 (0.59) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1760232 0.88
SCHEMBL1760234 0.88
SCHEMBL1760128 0.86
SCHEMBL1760131 0.86
SCHEMBL1760133 0.85
SCHEMBL1760129 0.85
SCHEMBL1760510 0.83
SCHEMBL1759921 0.81
SCHEMBL1759918 0.81

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 17 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 claimed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP claimed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO claimed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 US claimed
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2019-07-04 US disclosed
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
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
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US 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
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
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 US 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 (2 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-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 ALDH1A1 672/4885LMNA 4352/4885NPC1 1764/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R ALDH1A1 325/4885LMNA 3754/4885NPC1 785/4885

“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.