SCHEMBL17224936

SCHEMBL17224936

COC(=O)c1n[nH]c(OCC(F)(F)F)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
KDM4E B2RXH2 1/20 0.36
STAT3 P40763 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NTRK1 P04629 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
NOTUM Q6P988 2/20 0.32
ALPL P05186 2/20 0.32
ALOX15 P16050 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPT P10636 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DDR1 Q08345 1/20 0.31

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
SCHEMBL17224891 0.84 HCAR2 (0.45) ALDH1A1L3MBTL1HCAR2ALOX15MAPT
SCHEMBL17224868 0.82 KDM4C (0.44) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL17766421 0.70 HCAR2 (0.63) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL24424586 0.68 KDM4C (0.49) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL22424292 0.68 KDM4C (0.49) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL17224847 0.67 MAPK1 (0.51) KDM4ECNR2ALDH1A1L3MBTL1HCAR2
SCHEMBL2365735 0.66 KDM4C (0.46) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL22627362 0.66 KDM4C (0.46) KDM4CKDM4EALDH1A1NOTUMALPL
SCHEMBL17224886 0.66 HCAR2 (0.53) KDM4EHCAR2ALPLMAPT
SCHEMBL7449256 0.66 L3MBTL1 (0.41) KDM4ENPSR1CNR2L3MBTL1CYP1A2

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 KDM4C 1995/4885KDM4E 2469/4885STAT3 3777/4885

“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.