SCHEMBL4070829

SCHEMBL4070829

CCC(C)OP(=O)(O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.40
PPARG P37231 7/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
IDO1 P14902 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
POLQ O75417 1/20 0.37
ACP3 P15309 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL13949606 0.81 POLQ (0.44) EPHX2PPARGIDO1MAOAMAOB
SCHEMBL916315 0.81 TSHR (0.49) POLBMAPK1IDO1KMT2A
SCHEMBL916701 0.80 KDM4E (0.36) EPHX2PPARGMAOBACP3KDM4E
SCHEMBL2008230 0.79 EPHX2 (0.36) EPHX2IDO1KDM4E
SCHEMBL901668 0.79 ALDH1A1 (0.44) EPHX2IDO1MAOAMAOBKMT2A
SCHEMBL642703 0.79 FDPS (0.42) ACP3KDM4EALDH1A1
SCHEMBL3086597 0.79 IDO1 (0.34) IDO1ACP3KDM4EKMT2AALDH1A1
SCHEMBL2958031 0.78 ACP3 (0.38) EPHX2PPARGPOLBMAPK1ACP3
SCHEMBL273117 0.77 S1PR1 (0.40) EPHX2PPARGMAPK1ALDH1A1
SCHEMBL9386757 0.77 SRC (0.39) KDM4EKMT2AALDH1A1

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
US-7595315-B2 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
EP-1716126-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2009-02-25 EP disclosed
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2007-03-15 US disclosed
EP-1716126-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-02 EP disclosed
WO-2005066144-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-07-21 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-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 EPHX2 2832/4885PPARG 3195/4885POLB 1971/4885

“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.