SCHEMBL1907255

SCHEMBL1907255

O=C(O)NC1(c2ccc(-c3oc4c(Br)cn(CCF)c(=O)c4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.33
CNR2 P34972 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
PDE2A O00408 3/20 0.31
ERAP1 Q9NZ08 1/20 0.31
TACR3 P29371 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 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
SCHEMBL1903507 0.87 AKT1 (0.33) SCN9APDE2AERAP1TACR3
SCHEMBL1902388 0.86 BRD4 (0.35) SCN9ACYP3A4
SCHEMBL12677081 0.85 AKT1 (0.39)
SCHEMBL1901653 0.84 CYP3A4 (0.33) SCN9APDE2ATACR3KDM4ELMNA
SCHEMBL14119201 0.82 PDE2A (0.33) SCN9APDE2ATACR3KDM4ELMNA
SCHEMBL1904896 0.82 ALDH1A1 (0.41) KDM4ELMNA
SCHEMBL1907422 0.81 KDM4E (0.30) KDM4ELMNACYP1A2CHRM2CYP3A4
SCHEMBL1904773 0.78 AKT1 (0.36) PDE2ATACR3OPRM1
SCHEMBL1903720 0.78 PDE2A (0.34) SCN9APDE2AERAP1TACR3
SCHEMBL1905277 0.76 BRD4 (0.38) PDE2ATACR3CYP3A4

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 4042/4885CNR2 4725/4885ABHD6 1524/4885

“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.