SCHEMBL3487336

SCHEMBL3487336

c1ccc(COC[C@@H]2CN(Cc3ccccc3)CCO2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 0.64
DRD2 P14416 2/20 0.60
DRD3 P35462 2/20 0.60
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL26621783 1.00 DRD4 (0.64) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL16932256 0.92 DRD4 (0.56) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL26136158 0.92 DRD4 (0.56) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL30194850 0.92 DRD4 (0.56) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL9056881 0.89 DRD4 (0.53) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL9581802 0.88 DRD4 (0.66) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL26621776 0.86 DRD4 (0.52) DRD4DRD2DRD3
SCHEMBL26621711 0.85 DRD4 (0.63) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL9582052 0.84 DRD4 (0.73) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL9582407 0.84 DRD4 (0.73) DRD4DRD2DRD3CYP1A2CYP3A4

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-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 US disclosed
WO-2008121685-A1 METHODS OF USE FOR INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
EP-1948188-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 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-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 DRD4 4782/4885DRD2 4771/4885DRD3 4756/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 DRD4 4782/4885DRD2 4771/4885DRD3 4756/4885

“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.