SCHEMBL21406418

SCHEMBL21406418

S=C=NCC1COCCO1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR5A P47898 1/20 0.35

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
SCHEMBL21406424 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3HTR5A
SCHEMBL21406517 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3HTR5A
SCHEMBL21406538 0.78
SCHEMBL21424529 0.78
SCHEMBL21406413 0.78
SCHEMBL2450383 0.74
SCHEMBL28837489 0.74
SCHEMBL21406223 0.72
SCHEMBL21406377 0.72
SCHEMBL1457218 0.72

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
EP-3541803-B1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10689367-B2 Triazole pyridyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-06-23 US disclosed
US-20190300507-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-10-03 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-20190300507-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR CHRM2 944/4885CHRM4 1262/4885CHRM5 916/4885
US-10689367-B2 Triazole pyridyl compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR CHRM2 860/4885CHRM4 1207/4885CHRM5 890/4885

“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.