SCHEMBL5055418

SCHEMBL5055418

O=CN1CCOC(c2ccccc2O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.38
ADORA3 P0DMS8 1/20 0.38
HSD11B1 P28845 1/20 0.38
AKR1C3 P42330 1/20 0.38
CYP3A4 P08684 1/20 0.35
DRD3 P35462 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TERT O14746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAOA P21397 1/20 0.32

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
SCHEMBL16163924 0.82 DRD3 (0.34) DRD3HTR2AHTR2C
SCHEMBL15347806 0.78 GSK3B (0.45) CYP1A2CYP2D6
SCHEMBL295269 0.78 CNR2 (0.46) DRD3CYP1A2CYP2D6
SCHEMBL1520672 0.75 HRH3 (0.44) HTR2AHTR2CHTR2BCYP1A2CYP2D6
SCHEMBL2540747 0.74 CYP1A2 (0.35) DRD3CYP1A2
SCHEMBL5033938 0.73 GSK3B (0.34) HTR2CHTR2BCYP1A2CYP2D6
SCHEMBL28449775 0.73 CHRM2 (0.39) CYP2C19
SCHEMBL28713607 0.73 TRPM8 (0.46) HTR2B
SCHEMBL30317690 0.73 AR (0.45) ARADORA3HSD11B1AKR1C3CYP3A4
SCHEMBL4125134 0.72 HTR2A (0.34) DRD3HTR2AHTR2CHTR2BCYP1A2

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 4 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
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF AR 2976/4885ADORA3 4545/4885HSD11B1 1953/4885

“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.