SCHEMBL5033938

SCHEMBL5033938

O=CN1CCOC(c2ccccc2OCCBr)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
DRD1 P21728 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PDE10A Q9Y233 1/20 0.31
DRD4 P21917 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
USP2 O75604 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KRAS P01116 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
SCHEMBL1520672 0.85 HRH3 (0.44) GSK3BCYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL15347806 0.81 GSK3B (0.45) GSK3BCYP1A2CYP2D6PDE10AMEN1
SCHEMBL5055418 0.73 AR (0.38) CYP1A2CYP2D6HTR2CHTR2B
SCHEMBL2543623 0.72
SCHEMBL4125134 0.70 HTR2A (0.34) GSK3BCYP1A2CYP2D6HTR2CHTR2B
SCHEMBL295269 0.70 CNR2 (0.46) GSK3BCYP1A2CYP2D6MEN1KMT2A
SCHEMBL16163924 0.68 DRD3 (0.34) SMN1; SMN2POLBHTR2CMEN1KMT2A
SCHEMBL2540747 0.67 CYP1A2 (0.35) CYP1A2DRD4
SCHEMBL3120324 0.66 NPC1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AKRAS
SCHEMBL28449775 0.65 CHRM2 (0.39) L3MBTL1KDM4EALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF GSK3B 93/4885CYP1A2 3491/4885CYP2D6 3465/4885

“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.