SCHEMBL22628207

SCHEMBL22628207

C=C(CCNC(=O)c1ccc(CC)cn1)NC(=O)COc1ccc(Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 10/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ GCGR P47871 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ RPS6KA1 Q15418 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL22627677 0.92 ALDH1A1 (0.41) ALDH1A1GCGRMAPTRXFP1TRPV1
SCHEMBL25812837 0.91 ATF4 (0.39) ATF4ALDH1A1GCGRMAPK1RPS6KA1
SCHEMBL22627579 0.89 ATF4 (0.42) ATF4ALDH1A1GCGRRXFP1
SCHEMBL22628192 0.89 ALDH1A1 (0.43) ATF4ALDH1A1GCGRRXFP1
SCHEMBL25814579 0.89 ATF4 (0.43) ATF4ALDH1A1GCGR
SCHEMBL25809433 0.89 ATF4 (0.47) ATF4ALDH1A1GCGR
SCHEMBL22956149 0.89 ATF4 (0.39) ATF4ALDH1A1RXFP1
SCHEMBL25820993 0.88 TRPV1 (0.47) ATF4ALDH1A1MAPK1MAPTTRPV1
SCHEMBL22627572 0.88 TRPV1 (0.43) ATF4ALDH1A1GCGRTRPV1
SCHEMBL22628229 0.87 ATF4 (0.39) ATF4ALDH1A1GCGRMAPK1RPS6KA1

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
US-10913727-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2021-02-09 — — US disclosed
US-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 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 (2 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-10913727-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885GCGR 1556/4885
US-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885GCGR 1556/4885

“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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