SCHEMBL22669332

SCHEMBL22669332

CCC1(NC(=O)COCc2cccc(Cl)c2)CC(C)(NC(=O)COc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ MAOB P27338 5/20 0.40
▸ MAOA P21397 3/20 0.40
▸ ATF4 P18848 3/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ FFAR1 O14842 1/20 0.38

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
SCHEMBL30026324 0.86 ATF4 (0.55) HTTMRGPRX4ATF4ADAMTS5
SCHEMBL19555442 0.86 ATF4 (0.55) HTTMRGPRX4ATF4ADAMTS5
SCHEMBL20999266 0.86 ATF4 (0.48) ATF4GAA
SCHEMBL19569276 0.86 HTT (0.43) HTTMRGPRX4MAOBMAOAATF4
SCHEMBL19569277 0.84 HTT (0.44) HTTMRGPRX4MAOBMAOAATF4
SCHEMBL19569304 0.82 ATF4 (0.49) ATF4GAAALOX12
SCHEMBL30024684 0.79 ATF4 (0.51) HTTMRGPRX4ATF4
SCHEMBL19555423 0.79 ATF4 (0.51) HTTMRGPRX4ATF4
SCHEMBL19569469 0.79 ATF4 (0.50) MRGPRX4ATF4
SCHEMBL30025703 0.79 ATF4 (0.50) MRGPRX4ATF4

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 HTT 2496/4885MRGPRX4 2411/4885MAOB 2933/4885

“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.

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