SCHEMBL3609023

SCHEMBL3609023

COC(=O)C(N)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LTA4H P09960 3/20 0.58
EPOR P19235 1/20 0.54
MAOB P27338 3/20 0.53
ALOX5 P09917 1/20 0.53
NR4A2 P43354 1/20 0.52
SMPD1 P17405 1/20 0.51
BCHE P06276 1/20 0.50
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
MEN1 O00255 1/20 0.50
PTGES O14684 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL6600006 0.87 KMT2A (0.62) KMT2ASMN1; SMN2LTA4HMAOBALOX5
SCHEMBL9432429 0.85 KMT2A (0.59) KMT2ASMN1; SMN2LTA4HEPORMAOB
SCHEMBL2853880 0.85 ALOX5 (0.63) KMT2ASMN1; SMN2LTA4HEPORMAOB
SCHEMBL9019941 0.85 KMT2A (0.59) KMT2ASMN1; SMN2LTA4HEPORMAOB
SCHEMBL3619364 0.85 LTA4H (0.64) SMN1; SMN2LTA4HEPORMAOBALOX5
SCHEMBL25311665 0.84 KMT2A (0.57) KMT2ASMN1; SMN2LTA4HEPORMAOB
SCHEMBL31070956 0.84 KMT2A (0.57) KMT2ASMN1; SMN2LTA4HEPORMAOB
SCHEMBL19415900 0.84 KMT2A (0.50) KMT2ASMN1; SMN2LTA4HMEN1
SCHEMBL30771265 0.84 SGMS2 (0.58) KMT2ASMN1; SMN2LTA4HEPORMAOB
SCHEMBL3622668 0.82 PTGS1 (0.59) KMT2AALOX5MEN1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303328-B1 AMINOESTER DERIVATIVES CHIESI FARM SPA (IT) 2019-03-20 EP disclosed
EP-3303328-B1 AMINOESTER DERIVATIVES CHIESI FARM SPA (IT) 2019-03-20 EP disclosed
EP-3303328-A1 AMINOESTER DERIVATIVES Chiesi Farmaceutici S.p.A. (IT) 2018-04-11 EP disclosed
CN-107667103-A Amino ester derivatives 奇斯药制品公司 2018-02-06 CN disclosed
EP-3077385-B1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-10-04 EP disclosed
EP-3077385-B1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-10-04 EP disclosed
US-9636336-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-02 US disclosed
US-9636336-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-02 US disclosed
US-9636336-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-02 US disclosed
WO-2016193244-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-08 WO disclosed
WO-2015082616-A1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 WO disclosed
US-20150158858-A1 HETEROARYL DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 US disclosed
WO-2015082616-A1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 WO disclosed
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO 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 (4 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R KMT2A 1861/4885SMN1; SMN2 2406/4885LTA4H 1928/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R KMT2A 1828/4885SMN1; SMN2 2411/4885LTA4H 2305/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R KMT2A 1861/4885SMN1; SMN2 2406/4885LTA4H 1928/4885
US-20150158858-A1 HETEROARYL DERIVATIVES PDE4A, PDE4B, PDE3A KMT2A 2493/4885SMN1; SMN2 4045/4885LTA4H 67/4885

“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.