SCHEMBL1904589

SCHEMBL1904589

O=C(O)NC1(c2ccc(-c3oc4ncc(C5CC5)nc4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.37
TACR3 P29371 2/20 0.37
PDE2A O00408 6/20 0.35
AKT1 P31749 1/20 0.35
IDO1 P14902 1/20 0.33

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
SCHEMBL14118838 0.89 AKT1 (0.42) SCN9APDE2AAKT1
SCHEMBL14118957 0.89 TACR3 (0.41) SCN9ATACR3PDE2AAKT1
SCHEMBL1906672 0.88 TACR3 (0.38) SCN9ATACR3PDE2AAKT1
SCHEMBL1907564 0.86 TACR3 (0.37) SCN9ATACR3PDE2AAKT1
SCHEMBL14118904 0.85 TACR3 (0.37) SCN9ATACR3PDE2AAKT1
SCHEMBL1900984 0.85 AKT1 (0.40) SCN9ATACR3PDE2AAKT1IDO1
SCHEMBL1903041 0.85 AKT1 (0.38) SCN9ATACR3PDE2AAKT1
SCHEMBL1902143 0.84 TACR3 (0.36) SCN9ATACR3PDE2AAKT1
SCHEMBL1903118 0.83 TACR3 (0.35) SCN9ATACR3PDE2AAKT1
SCHEMBL12095412 0.83 TACR3 (0.38) SCN9ATACR3PDE2AAKT1

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-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 SCN9A 4042/4885TACR3 3761/4885PDE2A 2363/4885

“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.