SCHEMBL4595831

SCHEMBL4595831

O[C@@H](c1ccccc1)[C@H]1CNCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.53
SLC6A4 P31645 15/20 0.53
SLC6A3 Q01959 10/20 0.53
HRH1 P35367 2/20 0.50
MLNR O43193 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2C P28335 1/20 0.50
OPRK1 P41145 1/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4595825 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL4596454 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL4596458 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL4595727 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL5061895 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL4595722 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL4595714 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL8285438 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL21524886 0.84 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL6540781 0.83 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HRH1MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 SLC6A2 4822/4885SLC6A4 4637/4885SLC6A3 4780/4885

“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.