SCHEMBL14119201

SCHEMBL14119201

O=C(O)NC1(c2ccc(-c3oc4c(=O)n(CCF)ccc4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.33
SCN9A Q15858 5/20 0.33
TACR3 P29371 2/20 0.33
MAPT P10636 4/20 0.32
USP2 O75604 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 3/20 0.32
TSHR P16473 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL1903477 0.91 TACR3 (0.32) PDE2ATACR3MAPTUSP2ALDH1A1
SCHEMBL1901495 0.89 AKT1 (0.40) PDE2ASCN9ACYP3A4KDM4ELMNA
SCHEMBL1901653 0.87 CYP3A4 (0.33) PDE2ASCN9ATACR3MAPTUSP2
SCHEMBL12095316 0.87 TACR3 (0.35) PDE2ASCN9ATACR3ALDH1A1CYP3A4
SCHEMBL1906138 0.84 AKT1 (0.43) AKT1
SCHEMBL1907255 0.82 SCN9A (0.33) PDE2ASCN9ATACR3CYP3A4KDM4E
SCHEMBL12095313 0.80 AKT1 (0.40) AKT1
SCHEMBL1904896 0.80 ALDH1A1 (0.41) MAPTUSP2ALDH1A1TSHRKDM4E
SCHEMBL1902388 0.79 BRD4 (0.35) SCN9ACYP3A4CYP2C8AKT1
SCHEMBL1534537 0.78 AKT1 (0.39) ALDH1A1CYP3A4KDM4ELMNACYP1A2

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 1 patent. 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

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 PDE2A 2363/4885SCN9A 4042/4885TACR3 3761/4885

“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.