SCHEMBL5750195

SCHEMBL5750195

O=C(O)C1(O)CCN(CCc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
HPGD P15428 1/20 0.46
MAOB P27338 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL5750668 0.86 ADRA1D (0.50) ADRA1DADRA1AADRA1BALDH1A1CYP1A2
SCHEMBL20689724 0.83 ADRA1D (0.55) ADRA1DADRA1AADRA1B
SCHEMBL20689718 0.81 ADRA1D (0.65) ADRA1DADRA1AADRA1B
SCHEMBL5774489 0.81 TSHR (0.57) ADRA1DADRA1AADRA1BALDH1A1TRPV1
SCHEMBL5656040 0.79 MEN1 (0.53) ADRA1DADRA1AADRA1BALDH1A1CYP1A2
SCHEMBL11698547 0.78 DPP7 (0.67) ADRA1DADRA1AADRA1BALDH1A1TRPV1
SCHEMBL11261146 0.77 DPP7 (0.65) ADRA1DADRA1AADRA1BALDH1A1TRPV1
SCHEMBL11699939 0.76 SIGMAR1 (0.60) ADRA1DADRA1AADRA1BALDH1A1KMT2A
SCHEMBL14003880 0.76 ADRA1D (0.63) ADRA1DADRA1AADRA1BCYP1A2TSHR
SCHEMBL9398454 0.74 ADRA1A (0.55) ADRA1DADRA1AADRA1BCYP1A2CYP3A4

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 ADRA1D 990/4885ADRA1A 1215/4885ADRA1B 2343/4885

“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.