SCHEMBL6717326

SCHEMBL6717326

CC[C@@](N)(C(=O)O)C(Cl)c1cccc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.43
HIF1A Q16665 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGDS O60760 1/20 0.40
ADRB1 P08588 2/20 0.40
ADRA1A P35348 2/20 0.40
MIF P14174 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
GALR3 O60755 1/20 0.39
OPRK1 P41145 3/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL6716430 0.87 KYNU (0.40) KYNUHIF1ALMNAKDM4EHPGDS
SCHEMBL4374968 0.71 CYP1A2 (0.54) KDM4EKIF11
SCHEMBL27644019 0.70 KYNU (0.43) KYNUHIF1ALMNAKDM4EHPGDS
SCHEMBL21632771 0.70 CYP1A2 (0.44) HIF1ALMNAOPRD1
SCHEMBL27643926 0.70 HIF1A (0.47) KYNUHIF1ALMNAKDM4EHPGDS
SCHEMBL23646614 0.69 HIF1A (0.44) KYNUHIF1ALMNAKDM4EHPGDS
SCHEMBL11084247 0.68 GRM2 (0.44) HIF1ALMNAKDM4ENFKB1DRD1
SCHEMBL27730920 0.68 KYNU (0.51) KYNUHIF1ALMNAKDM4EADRB1
SCHEMBL27665562 0.68 HIF1A (0.45) KYNUHIF1ALMNAKDM4EHPGDS
SCHEMBL1820061 0.67 KYNU (0.51) KYNUHIF1ALMNAKDM4EADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 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 (1 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-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH KYNU 346/4885HIF1A 1733/4885LMNA 3420/4885

“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.