SCHEMBL5219744

SCHEMBL5219744

O=C(O)c1cc(C(F)(F)F)cc(N2CCCC2=O)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 2/20 0.42
BACE1 P56817 1/20 0.41
CMA1 P23946 1/20 0.40
HSD17B10 Q99714 2/20 0.38
MOGAT2 Q3SYC2 3/20 0.37
MGAT2 Q10469 1/20 0.37
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LIPG Q9Y5X9 5/20 0.36
LIPC P11150 1/20 0.35
LPL P06858 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35

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
SCHEMBL5853141 0.86 CFTR (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5853388 0.82 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5853684 0.76 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5221777 0.75 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12097649 0.75 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5221241 0.74 BACE1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25025038 0.71 HSD17B10 (0.51) ALDH1A1HPGDHSD17B10MOGAT2NOTUM
SCHEMBL9731689 0.71 LMNA (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15923334 0.71 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18608707 0.70 HSD17B10 (0.50) CYP3A4CYP2C9HPGDHSD17B10MOGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
US-6992103-B2 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-31 US disclosed
US-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 US disclosed
EP-1448520-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045913-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 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 (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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 ALDH1A1 1848/4885CYP1A2 878/4885CYP3A4 1731/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 ALDH1A1 3102/4885CYP1A2 2757/4885CYP3A4 3657/4885

“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.