SCHEMBL5750465

SCHEMBL5750465

NC(=O)C1(C(=O)O)CCN(CC(O)c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
PTGS1 P23219 2/20 0.42
PTGS2 P35354 1/20 0.42
UGCG Q16739 7/20 0.41
HTR1A P08908 1/20 0.41
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
ADRB3 P13945 3/20 0.39
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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 0.85 AOC3 (0.45) AOC3PTGS1PTGS2UGCGHTR1A
SCHEMBL5751126 0.85 AOC3 (0.45) AOC3PTGS1PTGS2UGCGHTR1A
SCHEMBL5747091 0.81 AOC3 (0.44) AOC3PTGS1PTGS2UGCGHTR1A
SCHEMBL5659968 0.77 AOC3 (0.46) AOC3PTGS1PTGS2UGCGHTR1A
SCHEMBL5659963 0.77 AOC3 (0.46) AOC3PTGS1PTGS2UGCGHTR1A
SCHEMBL3780503 0.74 AOC3 (0.51) AOC3PTGS1PTGS2UGCGHTR1A
SCHEMBL10729794 0.73 KMT2A (0.64) HTR1AALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL10729727 0.70 IGF1R (0.65) HTR1AALDH1A1L3MBTL1KDM4E
SCHEMBL5750474 0.70 TSHR (0.40) ALDH1A1NPC1HTTRAB9ATSHR
SCHEMBL22478570 0.70 PTGS1 (0.58) AOC3PTGS1PTGS2ALDH1A1ATM

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 6 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-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.