SCHEMBL21882040

SCHEMBL21882040

COc1ccc2oc(C(=O)NN3CCC(NC(=O)OC(C)(C)C)CC3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 5/20 0.50
TAS1R3 Q7RTX0 7/20 0.47
TAS1R1 Q7RTX1 7/20 0.47
BCAT1 P54687 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
ACHE P22303 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 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
SCHEMBL29436908 1.00 ATF4 (0.50) ATF4TAS1R3TAS1R1BCAT1HTR1A
SCHEMBL29436915 0.88 ATF4 (0.59) ATF4TAS1R3TAS1R1BCAT1CHRNB2
SCHEMBL21882067 0.88 ATF4 (0.59) ATF4TAS1R3TAS1R1BCAT1CHRNB2
SCHEMBL21819377 0.87 ATF4 (0.54) ATF4TAS1R3TAS1R1BCAT1ACHE
SCHEMBL21882039 0.82 ATF4 (0.49) ATF4TAS1R3TAS1R1BCAT1CHRNB2
SCHEMBL28584278 0.79 TAS1R3 (0.51) ATF4TAS1R3TAS1R1BCAT1CHRNB2
Trifluoroacetic Acid SCHEMBL21819317 0.79 BCAT1 (0.48) ATF4TAS1R3TAS1R1BCAT1CHRNB2
SCHEMBL21050155 0.75 RAB9A (0.51) ATF4TAS1R3TAS1R1BCAT1CHRNB2
SCHEMBL21050159 0.75 RAB9A (0.51) ATF4TAS1R3TAS1R1BCAT1CHRNB2
SCHEMBL29356799 0.75 RAB9A (0.51) ATF4TAS1R3TAS1R1BCAT1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11166942-B2 Inhibitors of integrated stress response pathway Praxis Biotech LLC (US) 2021-11-09 US disclosed
CN-112912082-A Integrated stress pathway inhibitors 普拉西斯生物技术有限责任公司 2021-06-04 CN disclosed
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2020-04-02 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-11166942-B2 Inhibitors of integrated stress response pathway ATF4, DDIT3, ATF1 ATF4 1/4885TAS1R3 3579/4885TAS1R1 3356/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 ATF4 1/4885TAS1R3 3579/4885TAS1R1 3356/4885

“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.