SCHEMBL1817221

SCHEMBL1817221

FC(F)(F)c1ccc(NC2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.72
ACHE P22303 6/20 0.72
BACE1 P56817 6/20 0.72
DRD2 P14416 1/20 0.64
DRD4 P21917 1/20 0.64
SIGMAR1 Q99720 3/20 0.59
ROCK2 O75116 2/20 0.58
CCR2 P41597 1/20 0.57
ROCK1 Q13464 1/20 0.57
HIF1A Q16665 1/20 0.55
EPAS1 Q99814 1/20 0.55
FAAH O00519 1/20 0.55
TEAD1 P28347 1/20 0.55
PRKAB2 O43741 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PRKAG3 Q9UGI9 1/20 0.54
PRKAG2 Q9UGJ0 1/20 0.54
PRKAB1 Q9Y478 1/20 0.54

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
SCHEMBL331018 0.86 BCHE (0.68) BCHEACHEBACE1DRD2DRD4
SCHEMBL331017 0.86 BCHE (0.68) BCHEACHEBACE1DRD2DRD4
SCHEMBL660073 0.83 ROCK2 (0.62) BCHEACHEBACE1SIGMAR1ROCK2
SCHEMBL2275025 0.81 ROCK2 (0.61) BCHEACHEBACE1SIGMAR1ROCK2
SCHEMBL24126796 0.79 BCHE (0.63) BCHEACHEBACE1DRD2DRD4
SCHEMBL5870954 0.78 ROCK2 (0.65) BCHEACHEBACE1ROCK2CCR2
SCHEMBL7214418 0.78 ACHE (1.00) BCHEACHEBACE1SIGMAR1
SCHEMBL8712569 0.78 DRD4 (1.00) DRD2DRD4
SCHEMBL6156841 0.78 GAA (0.59) BCHEACHEBACE1DRD2DRD4
SCHEMBL918426 0.77 KDM4E (0.66) BCHEACHEBACE1DRD2DRD4

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
EP-2035371-B1 SUBSTITUTED PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYT1 AND GLYT2 RECEPTOR INHIBITORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
US-7951836-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-31 US disclosed
EP-2035371-A2 SUBSTITUTED PHENYL METHANONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-18 EP disclosed
US-20070299071-A1 Substituted phenyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 US disclosed
WO-2007147770-A2 SUBSTITUTED PHENYL METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 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-20070299071-A1 Substituted phenyl methanone derivatives CYP11B1, CYP11B2, MC2R BCHE 1717/4885ACHE 638/4885BACE1 674/4885

“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.