SCHEMBL21406385

SCHEMBL21406385

S=C=NCC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.31
RAB9A P51151 2/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
HTR5A P47898 1/20 0.30
USP2 O75604 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
SCHEMBL21406392 1.00 ALDH1A1 (0.37) ALDH1A1HPGDKMT2AHTTRAB9A
SCHEMBL21406383 1.00 ALDH1A1 (0.37) ALDH1A1HPGDKMT2AHTTRAB9A
SCHEMBL21406223 0.94
SCHEMBL21406377 0.94
SCHEMBL1457218 0.94
SCHEMBL21424529 0.87
SCHEMBL21406413 0.87
SCHEMBL21406538 0.87
SCHEMBL7734608 0.75
SCHEMBL155014 0.75

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 ALDH1A1 2430/4885HPGD 1421/4885KMT2A 4118/4885
US-10689367-B2 Triazole pyridyl compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR ALDH1A1 2421/4885HPGD 1359/4885KMT2A 4083/4885

“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.