SCHEMBL6716430

SCHEMBL6716430

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.40
LMNA P02545 2/20 0.39
HIF1A Q16665 2/20 0.39
KDM4E B2RXH2 2/20 0.39
OPRK1 P41145 5/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGDS O60760 1/20 0.37
ADRB1 P08588 1/20 0.36
MIF P14174 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
GALR3 O60755 1/20 0.36
DRD2 P14416 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
OPRD1 P41143 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6717326 0.87 KYNU (0.43) KYNULMNAHIF1AKDM4EOPRK1
SCHEMBL7303556 0.75 KIF11 (0.43) NPSR1KMT2ASMN1; SMN2TDP1KIF11
SCHEMBL7303566 0.75 KIF11 (0.43) NPSR1KMT2ASMN1; SMN2TDP1KIF11
SCHEMBL27468704 0.74 KIF11 (0.43) MEN1KMT2AKIF11
SCHEMBL6716339 0.70 ARG1 (0.51) KDM4EOPRK1ADRA1ADRD2OPRM1
SCHEMBL6716367 0.70 ESR1 (0.38) KDM4ENPSR1ADRA1AMEN1HTT
SCHEMBL9316406 0.70 ESR1 (0.38) KDM4ENPSR1ADRA1AMEN1HTT
SCHEMBL11470464 0.68 HIF1A (0.45) LMNAHIF1AKDM4EOPRK1ADRB1
SCHEMBL1055138 0.68 KYNU (0.47) KYNULMNAHIF1AKDM4EOPRK1
SCHEMBL10661922 0.68 HIF1A (0.45) KYNULMNAHIF1AKDM4EOPRK1

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 346/4885LMNA 3420/4885HIF1A 1733/4885

“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.