SCHEMBL19550838

SCHEMBL19550838

Cc1cnc(C(O)C(C)O)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APLNR P35414 9/20 1.00
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL22812895 1.00 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL18246523 1.00 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL18474514 1.00 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL18246176 1.00 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL18246399 1.00 APLNR (1.00) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL20201096 0.86 APLNR (0.75) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL20201097 0.86 APLNR (0.75) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL20180743 0.81 APLNR (0.68) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL12457569 0.80 APLNR (0.67) APLNRCCR1CCR5CCR8HDAC6
SCHEMBL27463869 0.80 APLNR (0.67) APLNRCCR1CCR5CCR8HDAC6

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541804-B1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-22 EP disclosed
EP-3541802-B1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-01 EP disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-11149040-B2 Fused triazole agonists of the APJ receptor AMGEN INC. (US) 2021-10-19 US disclosed
US-20210246118-A1 SUBSTITUTED PYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2021-08-12 US disclosed
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
WO-2018093576-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
WO-2018093580-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
WO-2018093580-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
WO-2017192485-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2017-11-09 WO disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
WO-2017192485-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2017-11-09 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 (8 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 APLNR 13/4885CCR1 2951/4885CCR5 1138/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR APLNR 3/4885CCR1 1991/4885CCR5 850/4885
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R APLNR 4/4885CCR1 1106/4885CCR5 443/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R APLNR 4/4885CCR1 2250/4885CCR5 1194/4885
US-20210246118-A1 SUBSTITUTED PYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR APLNR, AGTR1, AGTR2 APLNR 1/4885CCR1 1305/4885CCR5 242/4885
US-11149040-B2 Fused triazole agonists of the APJ receptor TBXA2R, AP3M1, GPBAR1 APLNR 5/4885CCR1 3324/4885CCR5 1858/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 APLNR 2/4885CCR1 2159/4885CCR5 852/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 APLNR 1/4885CCR1 1305/4885CCR5 242/4885

“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.