SCHEMBL20168262

SCHEMBL20168262

C[C@@](O)(c1cccc(C(=O)NN)c1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ GAA P10253 2/20 0.51
▸ POLB P06746 1/20 0.50
▸ TAS1R3 Q7RTX0 2/20 0.49
▸ TAS1R1 Q7RTX1 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TP53BP1 Q12888 1/20 0.48
▸ ACHE P22303 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ PTGS1 P23219 3/20 0.46
▸ P2RX1 P51575 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ AOC2 O75106 1/20 0.44

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
SCHEMBL20167160 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EGAAPOLBTAS1R3
SCHEMBL20167162 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EGAAPOLBTAS1R3
SCHEMBL29646460 0.82 GAA (0.68) ALDH1A1KDM4EGAAPOLBTAS1R3
SCHEMBL13698098 0.82 ACHE (0.60) ALDH1A1KDM4EGAAPOLBTAS1R3
SCHEMBL1127884 0.82 GAA (0.68) ALDH1A1KDM4EGAAPOLBTAS1R3
SCHEMBL4074099 0.81 SRD5A2 (0.53) NPSR1ACHELMNA
Hydrochloric Acid SCHEMBL1199080 0.81 GAA (0.67) ALDH1A1KDM4EGAAPOLBTAS1R3
SCHEMBL1725123 0.81 ACHE (0.51) NPSR1ACHEMEN1HTTRAB9A
SCHEMBL20166999 0.80 ACHE (0.47) ALDH1A1POLBNPSR1ACHERAB9A
SCHEMBL20166998 0.80 ACHE (0.47) ALDH1A1POLBNPSR1ACHERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 — — US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 — — US disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 — — EP disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 — — EP disclosed
EP-3541810-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 — — EP disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 — — US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 — — US 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

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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R ALDH1A1 2110/4885KDM4E 4276/4885GAA 4237/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R ALDH1A1 2110/4885KDM4E 4276/4885GAA 4237/4885

“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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