SCHEMBL20177700

SCHEMBL20177700

CO[C@H]1C[C@H](C(=O)NN)C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ CHRNB2 P17787 4/20 0.31
▸ CHRNA4 P43681 4/20 0.31
▸ CHRNA7 P36544 2/20 0.31
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ EPHX2 P34913 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
SCHEMBL21380374 1.00 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21380372 1.00 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21380299 0.86 EPHX2 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20837271 0.83 DPP4 (0.41) —
SCHEMBL30622698 0.81 ADORA3 (0.40) EPHX2
SCHEMBL24920450 0.80 CHRNB2 (0.50) ACACBCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL7866800 0.78 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16053536 0.75 — —
SCHEMBL24159037 0.75 — —
SCHEMBL12507475 0.75 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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 6 patents. 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
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 — — US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 — — US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 — — US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 — — US disclosed
WO-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 — — 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 (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-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R ALDH1A1 2409/4885CYP1A2 1007/4885CYP3A4 1797/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R ALDH1A1 2409/4885CYP1A2 1007/4885CYP3A4 1797/4885

“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.

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