SCHEMBL14005376

SCHEMBL14005376

CC(C)(C)c1cncc(OC[C@@H](N)CNCC2(c3ccccc3)CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A4 P31645 2/20 0.37
AKT1 P31749 12/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
ROCK2 O75116 2/20 0.34
PIM1 P11309 2/20 0.34
PRKACA P17612 2/20 0.34
RPS6KB1 P23443 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
PRKCD Q05655 2/20 0.34
ROCK1 Q13464 2/20 0.34
DYRK1A Q13627 2/20 0.34
CDC42BPA Q5VT25 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CHUK O15111 1/20 0.34
AKT2 P31751 1/20 0.34

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
SCHEMBL14005378 0.96 AKT1 (0.37) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14005375 0.92 L3MBTL1 (0.37) AKT1HTTROCK2PIM1PRKACA
SCHEMBL14030331 0.85 AKT1 (0.39) CHRM2CHRM1SLC6A4AKT1KDM4E
SCHEMBL14005369 0.83 HTT (0.35) SLC6A4AKT1HTTROCK2PIM1
SCHEMBL14030099 0.81 AKT1 (0.40) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14005332 0.78 AKT1 (0.42) AKT1ROCK2PIM1PRKACARPS6KB1
SCHEMBL14030197 0.77 ALDH1A1 (0.39) AKT1HTTROCK2PIM1PRKACA
SCHEMBL14005318 0.77 AKT1 (0.47) AKT1HTTROCK2PIM1PRKACA
SCHEMBL14005324 0.75 CYP2D6 (0.37) AKT1HTTROCK2PIM1PRKACA
SCHEMBL14005389 0.74 AKT1 (0.35) AKT1ROCK2PRKACARPS6KB1ROCK1

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 CHRM2 2333/4885CHRM1 1842/4885SLC6A4 4326/4885

“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.