SCHEMBL4305889

SCHEMBL4305889

COc1c(C)cnc(CN(C)Cc2cc(O)cc(-c3cc(N(C)CCO)ccn3)n2)c1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.34
PDE10A Q9Y233 1/20 0.33
SHMT2 P34897 1/20 0.30
MAPT P10636 1/20 0.30
HSP90AA1 P07900 2/20 0.30
BRS3 P32247 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
SCHEMBL14457590 0.87 AGXT (0.34) AGXTPDE10ASHMT2
SCHEMBL4309675 0.85 AGXT (0.37) AGXTPDE10ASHMT2HSP90AA1BRS3
SCHEMBL14457466 0.83 AGXT (0.36) AGXTPDE10ASHMT2MAPTBRS3
SCHEMBL4309241 0.81 MAP4K4 (0.33) MAPT
SCHEMBL4305125 0.81 PDE10A (0.44) AGXTPDE10ASHMT2HSP90AA1BRS3
SCHEMBL4311415 0.80 PDE10A (0.37) AGXTPDE10AHSP90AA1
SCHEMBL4304703 0.80 CYP2D6 (0.38) MAPT
SCHEMBL4315323 0.79 MAP4K4 (0.31) MAPT
SCHEMBL13985851 0.74 MAP4K4 (0.39) MAPT
Hydrochloric Acid SCHEMBL2539026 0.73 MAP4K4 (0.38) MAPT

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-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 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-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts MT-CO2, MT-CO1, SOD1 AGXT 1388/4885PDE10A 3997/4885SHMT2 430/4885

“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.