SCHEMBL2344407

SCHEMBL2344407

C[C@H](O)[C@H]1CC[C@@H](c2ccc(F)cc2)N1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 1/20 0.34
SCN3A Q9NY46 2/20 0.34
GAA P10253 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL22039437 0.86 KCNH2 (0.42) KCNH2MAPK1RECQLNPSR1SCN3A
SCHEMBL24350916 0.86 KCNH2 (0.42) KCNH2MAPK1RECQLNPSR1SCN3A
SCHEMBL22039709 0.86 KCNH2 (0.42) KCNH2MAPK1RECQLNPSR1SCN3A
SCHEMBL2346521 0.83 SLC6A3 (0.36) KCNH2SCN3ASLC6A3
SCHEMBL2349082 0.83 KDM1A (0.37) KCNH2SCN3ASLC6A3
SCHEMBL2344845 0.79
SCHEMBL2344854 0.79
SCHEMBL14563148 0.79
SCHEMBL22039576 0.76 KCNH2 (0.42) KCNH2SCN3ASLC6A3CA1
SCHEMBL22040888 0.76 KCNH2 (0.42) KCNH2SCN3ASLC6A3CA1

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 KCNH2 1129/4885MAPK1 756/4885RECQL 4231/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 KCNH2 423/4885MAPK1 903/4885RECQL 3284/4885

“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.