SCHEMBL4890227

SCHEMBL4890227

NC(=O)NCC(O)[CH]Cc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.37
EPHX1 P07099 1/20 0.33
NTRK1 P04629 1/20 0.33
MAPK8 P45983 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3B P49841 1/20 0.31
BACE1 P56817 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
ADRB1 P08588 1/20 0.30
METAP2 P50579 2/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL3348652 0.73 BACE1 (0.41) BACE1
SCHEMBL3355569 0.71 BACE1 (0.42) MEN1KMT2ABACE1
SCHEMBL23385216 0.71 CYP2C9 (0.50) NTRK1MAPK8METAP2CES2CES1
SCHEMBL4041675 0.70 BACE1 (0.50) BACE1
SCHEMBL4244530 0.68 MAPK8 (0.38) EPHX1NTRK1MAPK8MEN1KMT2A
SCHEMBL6647479 0.66 BACE1 (0.46) BACE1
SCHEMBL3351919 0.66 BACE1 (0.46) BACE1
SCHEMBL23384780 0.62 CYP2C9 (0.44) METAP2IDO1
SCHEMBL19438593 0.62 CAPN1 (0.46) EPHX1MAPK8CES2CES1IDO1
SCHEMBL319124 0.61 IDO1 (0.42) GSK3BBACE1CES2CES1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132552-A1 N-methyl hydroxyethylamine useful in treating CNS conditions PFIZER INC. 2008-06-05 US claimed
EP-1794114-A1 N-METHYL HYDROXYETHYLAMINE USEFUL IN TREATING CNS CONDITIONS Pfizer Products Incorporated (US) 2007-06-13 EP claimed
WO-2006032999-A1 N-METHYL HYDROXYETHYLAMINE USEFUL IN TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2006-03-30 WO claimed
US-20080132552-A1 N-methyl hydroxyethylamine useful in treating CNS conditions PFIZER INC. 2008-06-05 US disclosed
EP-1794114-A1 N-METHYL HYDROXYETHYLAMINE USEFUL IN TREATING CNS CONDITIONS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
WO-2006032999-A1 N-METHYL HYDROXYETHYLAMINE USEFUL IN TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2006-03-30 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-20080132552-A1 N-methyl hydroxyethylamine useful in treating CNS conditions HNMT, PNMT, BHMT BCAT2 764/4885EPHX1 77/4885NTRK1 251/4885

“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.