SCHEMBL1269233

SCHEMBL1269233

Nc1cc(N2CC(c3ccccc3)CC2=O)ccn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.55
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
HTR2A P28223 1/20 0.47
BRD4 O60885 3/20 0.47
REN P00797 3/20 0.46
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL12925072 0.80 HTR6 (0.50) HTR6ROCK2ROCK1PDE4APDE4B
SCHEMBL24257293 0.79 HTR6 (0.65) HTR6ROCK2ROCK1PDE4APDE4B
SCHEMBL12898188 0.77 TP53 (0.47) HTR6ROCK2ROCK1PDE4APDE4B
SCHEMBL12898169 0.76 LMNA (0.50) HTR6TSHR
SCHEMBL12898175 0.76 HTR6 (0.46) HTR6ROCK2ROCK1HTR2A
SCHEMBL12898162 0.75 POLB (0.52) HTR6REN
SCHEMBL12898183 0.75 PIK3C3 (0.47) HTR6
SCHEMBL1268405 0.75 HTR6 (0.55) HTR6ROCK2ROCK1
SCHEMBL22751959 0.74 HTR6 (0.53) HTR6ROCK2ROCK1PDE4APDE4B
SCHEMBL12898204 0.74 RAB9A (0.48) HTR6ROCK2ROCK1HTR2A

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP HTR6 3561/4885ROCK2 793/4885ROCK1 847/4885

“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.