SCHEMBL17224909

SCHEMBL17224909

CC(C)(C)OC(=O)N1CCOC(c2ncc(Br)cc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
EPHA2 P29317 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
PDE2A O00408 4/20 0.38
GPR119 Q8TDV5 4/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIN2B Q13224 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
DPP4 P27487 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL17224899 0.88 EPHA2 (0.42) USP30EPHA2MALT1PDE2AGPR119
SCHEMBL17224839 0.88 MALT1 (0.45) USP30EPHA2MALT1PDE2AGPR119
SCHEMBL17224856 0.88 MALT1 (0.40) EPHA2MALT1PDE2AGPR119USP2
SCHEMBL17224078 0.83 USP2 (0.43) USP30EPHA2MALT1GPR119USP2
SCHEMBL17224838 0.83 PDE2A (0.40) PDE2AGRIN2B
SCHEMBL12609675 0.81 USP30 (0.50) USP30EPHA2PDE2AGPR119USP2
SCHEMBL30382351 0.81 USP30 (0.50) USP30EPHA2PDE2AGPR119USP2
SCHEMBL12609677 0.81 USP30 (0.50) USP30EPHA2PDE2AGPR119USP2
SCHEMBL12609945 0.81 USP30 (0.50) USP30EPHA2PDE2AGPR119USP2
SCHEMBL17224958 0.80 HPGDS (0.40) USP30PDE2ASMN1; SMN2GRIN2B

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-3137459-B1 MORPHOLIN-PYRIDINE DERIVATIVES HAVING AFFINITY TO THE TAAR1 RECEPTOR HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed
US-9840501-B2 Morpholin-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-12-12 US disclosed
EP-3137459-A1 MORPHOLIN-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-03-08 EP disclosed
US-20170044145-A1 MORPHOLIN-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-16 US disclosed
WO-2015165835-A1 MORPHOLIN-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-11-05 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 (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-20170044145-A1 MORPHOLIN-PYRIDINE DERIVATIVES OPRM1, MC2R, OPRL1 USP30 4469/4885EPHA2 3025/4885MALT1 473/4885

“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.