SCHEMBL4736657

SCHEMBL4736657

c1ccc(COC[C@H]2CNC[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.57
ACHE P22303 2/20 0.57
LMNA P02545 1/20 0.44
REN P00797 9/20 0.44
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDE4D Q08499 1/20 0.40

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
SCHEMBL4736581 1.00 BCHE (0.57) BCHEACHELMNARENTSHR
Hydrochloric Acid SCHEMBL1572929 0.98 BCHE (0.56) BCHEACHELMNARENTSHR
SCHEMBL8172047 0.83 BCHE (0.53) BCHEACHERENTSHRSLC6A2
SCHEMBL2977281 0.83 BCHE (0.44) BCHEACHERENSLC6A2SLC6A4
SCHEMBL7405178 0.83 BCHE (0.44) BCHEACHERENSLC6A2SLC6A4
SCHEMBL3181771 0.79 GBA1 (0.55) BCHEACHELMNARENTSHR
SCHEMBL30456151 0.79 BCHE (0.49) BCHEACHERENSLC6A2SLC6A4
SCHEMBL30287794 0.78 BCHE (0.60) BCHEACHERENTSHRSLC6A2
SCHEMBL11380106 0.78 BCHE (0.60) BCHEACHERENTSHRSLC6A2
SCHEMBL14498487 0.78 CCR5 (0.47) BCHEACHELMNARENTSHR

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-8173662-B2 Fused pyrimidines as inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-08 US disclosed
US-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases BIOCRYST PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-7553839-B2 5h-pyrrolo[3,2-D] pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2009-06-30 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-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases PNP, MTAP, TYMP BCHE 698/4885ACHE 1253/4885LMNA 2316/4885

“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.