SCHEMBL5751126

SCHEMBL5751126

O=C(O)C1(O)CCN(C[C@H](O)c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 4/20 0.44
UGCG Q16739 7/20 0.42
HTR1A P08908 1/20 0.42
OPRM1 P35372 1/20 0.42
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
ALDH3A1 P30838 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5751121 1.00 AOC3 (0.45) AOC3PTGS1PTGS2ALDH1A1UGCG
SCHEMBL5750465 0.85 AOC3 (0.45) AOC3PTGS1PTGS2ALDH1A1UGCG
SCHEMBL5747091 0.84 AOC3 (0.44) AOC3PTGS1PTGS2ALDH1A1UGCG
SCHEMBL5659963 0.80 AOC3 (0.46) AOC3PTGS1PTGS2ALDH1A1UGCG
SCHEMBL5659968 0.80 AOC3 (0.46) AOC3PTGS1PTGS2ALDH1A1UGCG
SCHEMBL3780503 0.77 AOC3 (0.51) AOC3PTGS1PTGS2ALDH1A1UGCG
SCHEMBL10729794 0.76 KMT2A (0.64) ALDH1A1HTR1AMAPT
SCHEMBL22478570 0.72 PTGS1 (0.58) AOC3PTGS1PTGS2ALDH1A1KDM4E
SCHEMBL10728130 0.71 HTR1A (0.49) AOC3ALDH1A1HTR1AKDM4EMAPT
SCHEMBL10728375 0.71 IGF1R (0.62) AOC3ALDH1A1HTR1AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP claimed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US claimed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP claimed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO claimed
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 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 (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-20040198756-A1 Medicaments PIGO, PSAP, CD68 AOC3 2740/4885PTGS1 72/4885PTGS2 251/4885

“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.