SCHEMBL2352207

SCHEMBL2352207

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
NPSR1 Q6W5P4 3/20 0.36
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SLC6A3 Q01959 2/20 0.33
CA1 P00915 1/20 0.33
SSTR3 P32745 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23891688 0.85 KCNH2 (0.41) KCNH2NPSR1MAPK1RECQLSLC6A3
SCHEMBL19803481 0.83 RIPK1 (0.33)
SCHEMBL22451451 0.83 RIPK1 (0.33)
SCHEMBL20843439 0.83 MEN1 (0.41) KCNH2MAPK1SCN3ALMNASMN1; SMN2
SCHEMBL2345774 0.83 HTR2A (0.36) KCNH2SCN3ASLC6A3SLC6A2HTR2A
SCHEMBL19803454 0.81 RIPK1 (0.41) KCNH2SCN3ACA1HTR2AHTR2C
SCHEMBL20843428 0.81 RIPK1 (0.41) KCNH2SCN3ACA1HTR2AHTR2C
SCHEMBL22451655 0.81 RIPK1 (0.41) KCNH2SCN3ACA1HTR2AHTR2C
SCHEMBL22039441 0.81 KCNH2 (0.43) KCNH2NPSR1RECQLSCN3ACA1
Hydrochloric Acid SCHEMBL20835489 0.80 RIPK1 (0.40) KCNH2SCN3ACA1HTR2AHTR2C

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 1129/4885NPSR1 21/4885MAPK1 756/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 KCNH2 423/4885NPSR1 34/4885MAPK1 903/4885

“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.