SCHEMBL22612429

SCHEMBL22612429

O=C(NC1CCC(N2CCN(c3ccc(C(F)F)cn3)C2=O)CC1)c1ccc(Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.42
▸ PDE4B Q07343 2/20 0.39
▸ MAPK14 Q16539 5/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ RPS6KA1 Q15418 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ DCK P27707 2/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ ATF4 P18848 1/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ KCNE1 P15382 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ KCNQ5 Q9NR82 1/20 0.37
▸ PDE4D Q08499 1/20 0.36
▸ RIPK2 O43353 1/20 0.36

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
SCHEMBL22612431 1.00 AR (0.42) ARPDE4BMAPK14MAPK1RPS6KA1
SCHEMBL22612443 0.85 ATF4 (0.56) ATF4
SCHEMBL22612446 0.85 ATF4 (0.56) ATF4
SCHEMBL22612362 0.83 GRM5 (0.36) —
SCHEMBL22612365 0.83 GRM5 (0.36) —
SCHEMBL22612449 0.78 NR3C1 (0.39) —
SCHEMBL22612451 0.78 NR3C1 (0.39) —
SCHEMBL22612430 0.77 ATF4 (0.46) ATF4
SCHEMBL28514538 0.75 ALDH1A1 (0.46) DPP4KCNH2DPP7
SCHEMBL22612355 0.74 GRM5 (0.37) MAPK1F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218851-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-12 — — CN disclosed
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 — — 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-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, IRF3 AR 3033/4885PDE4B 2282/4885MAPK14 235/4885

“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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