SCHEMBL1901653

SCHEMBL1901653

O=C(O)NC1(c2ccc(-c3oc4ccn(CCF)c(=O)c4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
CYP2C8 P10632 1/20 0.33
PDE2A O00408 6/20 0.33
SCN9A Q15858 5/20 0.33
TACR3 P29371 2/20 0.33
CYP2C9 P11712 1/20 0.31
HSD11B1 P28845 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1903907 0.88 PDE2A (0.36) CYP3A4CYP2C8PDE2ASCN9ATACR3
SCHEMBL14119201 0.87 PDE2A (0.33) CYP3A4CYP2C8PDE2ASCN9ATACR3
SCHEMBL1907804 0.86 PDE2A (0.34) CYP3A4CYP2C8PDE2ASCN9ATACR3
SCHEMBL1904896 0.85 ALDH1A1 (0.41) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL1907255 0.84 SCN9A (0.33) CYP3A4PDE2ASCN9ATACR3HTR1A
SCHEMBL1902004 0.84 AKT1 (0.43)
SCHEMBL1902388 0.80 BRD4 (0.35) CYP3A4CYP2C8SCN9A
SCHEMBL14119236 0.79 AKT1 (0.40) CYP3A4PDE2ASCN9ACYP2C9HSD11B1
SCHEMBL1903477 0.79 TACR3 (0.32) CYP3A4PDE2ATACR3CYP2C9CYP2C19
SCHEMBL1902833 0.77 ALDH1A1 (0.39) KDM4EUSP2ALDH1A1LMNATP53

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 CYP3A4 4594/4885CYP2C8 4472/4885PDE2A 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.