SCHEMBL2344446

SCHEMBL2344446

CCOC(=O)C1CCC(c2ccc(F)c(F)c2)=N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
BRAF P15056 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
GRIN2B Q13224 2/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIN1 Q05586 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL2344442 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRBRAFLMNA
SCHEMBL2346553 0.87 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRTDP1CYP11B1
SCHEMBL2346544 0.87 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRTDP1CYP11B1
SCHEMBL22040222 0.86 NR3C2 (0.43) ALDH1A1KDM4ETSHRLMNATDP1
SCHEMBL2584512 0.84 TRPM8 (0.46) ALDH1A1KDM4ETSHRLMNATDP1
SCHEMBL3625341 0.83 LMNA (0.53) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL2585920 0.83 XPO1 (0.39) ALDH1A1KDM4ETSHRLMNATDP1
SCHEMBL2584740 0.83 LMNA (0.53) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL15832432 0.82 TSHR (0.46) ALDH1A1KDM4ETSHRLMNASMN1; SMN2
SCHEMBL2588467 0.82 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRTDP1CYP11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125829-B1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-01-16 EP disclosed
US-8008293-B2 Bicyclic oxomorpholine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-30 US disclosed
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-06 US disclosed
US-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-28 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-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES OPRM1, OPRK1, OPRD1 ALDH1A1 2062/4885KDM4E 4439/4885TSHR 478/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 ALDH1A1 1360/4885KDM4E 3885/4885TSHR 729/4885

“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.