SCHEMBL4337552

SCHEMBL4337552

C[C@@H](O)[C@H](N)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ APP P05067 2/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ MME P08473 1/20 0.36
▸ RECQL P46063 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ POLB P06746 1/20 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
SCHEMBL14587412 1.00 CES2 (0.44) CES2CES1SCN10APDPK1APP
SCHEMBL5659719 1.00 CES2 (0.44) CES2CES1SCN10APDPK1APP
Hydrochloric Acid SCHEMBL4345264 0.98 CES2 (0.43) CES2CES1SCN10APDPK1APP
SCHEMBL14100327 0.83 CES2 (0.39) CES2CES1PDPK1APPAKR1C3
SCHEMBL16169011 0.83 CES2 (0.39) CES2CES1PDPK1APPAKR1C3
SCHEMBL12498040 0.83 SLC6A2 (0.44) APPKDM4EMAPTLMNATSHR
SCHEMBL15518165 0.83 APP (0.40) SCN10AAPPRECQLTDP1KDM4E
SCHEMBL15496334 0.83 APP (0.40) SCN10AAPPRECQLTDP1KDM4E
SCHEMBL3115447 0.80 KDM4E (0.58) CES2CES1PDPK1APPAKR1C3
SCHEMBL12891898 0.79 CES2 (0.47) CES2CES1PDPK1APPAKR1C3

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
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 — — US disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 — — EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 — — US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 — — EP 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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 CES2 162/4885CES1 631/4885SCN10A 432/4885

“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.

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