SCHEMBL21378747

SCHEMBL21378747

C[C@@H](C(=O)NN)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 7/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
CTSD P07339 1/20 0.42
LMNA P02545 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TSHR P16473 2/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
STAT6 P42226 1/20 0.41
HIF1A Q16665 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL15745601 1.00 CYP1A2 (0.55) CYP1A2CYP3A4ALDH1A1POLBKDM4E
SCHEMBL21378793 1.00 CYP1A2 (0.55) CYP1A2CYP3A4ALDH1A1POLBKDM4E
SCHEMBL15551124 0.84 CYP1A2 (0.57) CYP1A2CYP3A4ALDH1A1POLBKDM4E
SCHEMBL626825 0.80 CYP1A2 (0.60) CYP1A2CYP3A4ALDH1A1POLBKDM4E
SCHEMBL29627913 0.80 CYP1A2 (0.60) CYP1A2CYP3A4ALDH1A1POLBKDM4E
SCHEMBL27536605 0.80 CYP1A2 (0.64) CYP1A2CYP3A4ALDH1A1POLBKDM4E
SCHEMBL11689283 0.79 CTSD (0.42) CYP1A2CYP3A4ALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL29368712 0.79 CYP1A2 (0.58) CYP1A2CYP3A4ALDH1A1POLBKDM4E
SCHEMBL6794045 0.79 CYP1A2 (0.48) CYP1A2CYP3A4ALDH1A1POLBKDM4E
SCHEMBL933349 0.78 CYP3A4 (0.62) CYP1A2CYP3A4ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541802-B1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-01 EP disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 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-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR CYP1A2 635/4885CYP3A4 1106/4885ALDH1A1 2364/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR CYP1A2 635/4885CYP3A4 1106/4885ALDH1A1 2364/4885

“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.