SCHEMBL22668971

SCHEMBL22668971

CN(C)c1cccc(CCOCC(=O)NC2=CC(C)(NC(=O)COc3ccc(Cl)c(Cl)c3)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ ROCK2 O75116 4/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ ADAMTS5 Q9UNA0 4/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33

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
SCHEMBL22669484 0.90 HTT (0.40) ADAMTS5GRIN1GRIN2BGAAALDH1A1
SCHEMBL22669126 0.89 MAPK1 (0.39) GAA
SCHEMBL22669335 0.89 MAOA (0.36) ADAMTS5GRIN1GRIN2BGAAALDH1A1
SCHEMBL22668961 0.87 CNR1 (0.38) CNR1GAAALDH1A1
SCHEMBL22669514 0.86 ATF4 (0.41) ADAMTS5GRIN1GRIN2BGAAALDH1A1
SCHEMBL30025580 0.86 ATF4 (0.46) ATMCNR1ADAMTS5
SCHEMBL19569284 0.86 ATF4 (0.46) ATMCNR1ADAMTS5
SCHEMBL22669522 0.85 MAPT (0.39) ADAMTS5GRIN1GRIN2BGAAALDH1A1
SCHEMBL22669473 0.85 ATF4 (0.41) ROCK2ADAMTS5ROCK1
SCHEMBL22669139 0.84 HPGD (0.39) ADAMTS5GRIN1GRIN2BGAAALDH1A1

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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-19 — — 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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATM 114/4885ROCK2 2906/4885CNR1 1588/4885

“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.

Send feedback