SCHEMBL20189429

SCHEMBL20189429

C[C@@H]1CCCC(=O)N1CCS(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PER2 O15055 3/20 0.39
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
APLNR P35414 1/20 0.38
CRY2 Q49AN0 1/20 0.36
AKR1C3 P42330 5/20 0.33
KCNH2 Q12809 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ACHE P22303 1/20 0.32
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL20188090 1.00 PER2 (0.39) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL20188086 1.00 PER2 (0.39) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL20207577 0.77 PER2 (0.40) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL18246628 0.74 APLNR (0.38) APLNR
SCHEMBL18246413 0.74 APLNR (0.38) APLNR
SCHEMBL18246415 0.74 APLNR (0.38) APLNR
SCHEMBL22293307 0.73
SCHEMBL10587336 0.73 CHRM2 (0.45) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL11671322 0.71 CHRM2 (0.38) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL20187951 0.69 HCRTR1 (0.44) APLNRHRH3HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
EP-3541805-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS Amgen Inc. (US) 2019-09-25 EP disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO 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-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R PER2 2532/4885CHRM2 1332/4885CHRM4 1773/4885

“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.