SCHEMBL4890232

SCHEMBL4890232

CNCC(O)C(N)Cc1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
ADRA1A P35348 1/20 0.39
ADRB1 P08588 2/20 0.37
SLC6A2 P23975 9/20 0.37
SLC6A4 P31645 9/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A3 Q01959 3/20 0.37
BACE1 P56817 3/20 0.34
CTSD P07339 2/20 0.34
ADRB3 P13945 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL3351390 0.84 BACE1 (0.38) ADRB1BACE1CTSDF2
SCHEMBL3350430 0.83 BACE1 (0.40) ADRB1BACE1CTSD
SCHEMBL3352638 0.82 BACE1 (0.44) ADRB1BACE1CTSD
SCHEMBL6039329 0.81 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL14163606 0.80 BACE1 (0.42) ADRA2AADRA2BADRA2CADRA1ASLC6A2
SCHEMBL3349058 0.79 CSNK1E (0.40) ADRB1BACE1CTSD
SCHEMBL3346966 0.79 LAP3 (0.39) ADRB1BACE1CTSD
SCHEMBL13814727 0.79 IDO1 (0.36) ADRA2AADRA2BADRA2CADRA1AADRB1
SCHEMBL4823652 0.79 IDO1 (0.36) ADRB1
SCHEMBL3355984 0.78 ANPEP (0.39) ADRB1BACE1CTSD

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 ADRA2A 629/4885ADRA2B 1303/4885ADRA2C 702/4885

“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.