SCHEMBL14005369

SCHEMBL14005369

CC(C)(C)c1cncc(OC[C@@H](N)CNCC2(c3ccc(F)cc3)CCOCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
OPRM1 P35372 5/20 0.34
AKT1 P31749 7/20 0.34
ROCK2 O75116 1/20 0.34
PIM1 P11309 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AKT2 P31751 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
RPS6KA3 P51812 1/20 0.34
LIMK1 P53667 1/20 0.34
PRKCD Q05655 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
AKT3 Q9Y243 1/20 0.34
P2RX7 Q99572 2/20 0.33
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL14005375 0.91 L3MBTL1 (0.37) HTTAKT1ROCK2PIM1RPS6KB1
SCHEMBL14030047 0.87 OPRM1 (0.38) HTTOPRM1AKT1ROCK2PIM1
SCHEMBL14068598 0.86 OPRM1 (0.36) HTTOPRM1AKT1ROCK2PIM1
SCHEMBL14005378 0.84 AKT1 (0.37) AKT1ROCK2PIM1RPS6KB1AKT2
SCHEMBL14005376 0.83 CHRM2 (0.37) HTTAKT1ROCK2PIM1RPS6KB1
SCHEMBL14030197 0.78 ALDH1A1 (0.39) HTTAKT1ROCK2PIM1RPS6KB1
SCHEMBL14005330 0.75 CASR (0.47) AKT1ROCK2PIM1RPS6KB1AKT2
SCHEMBL4893022 0.74 PDPK1 (0.66) AKT1RPS6KB1
SCHEMBL14005389 0.72 AKT1 (0.35) AKT1ROCK2RPS6KB1AKT2RPS6KA3
SCHEMBL14004831 0.72 AKT1 (0.48) AKT1ROCK2PIM1RPS6KB1AKT2

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 HTT 2725/4885OPRM1 3858/4885AKT1 157/4885

“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.