SCHEMBL5750474

SCHEMBL5750474

NC(=O)C1(C(N)=O)CCN([C@@H](O)Cc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CYP3A4 P08684 2/20 0.40
SLC6A4 P31645 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 2/20 0.39
MAPK8 P45983 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5747096 0.81 ALDH1A1 (0.41) TSHRALDH1A1GAARAB9ACYP2D6
SCHEMBL3359174 0.70 KDM6B (0.54) TSHRCYP3A4SLC6A4ALDH1A1GAA
SCHEMBL3350932 0.70 KDM6B (0.54) TSHRCYP3A4SLC6A4ALDH1A1GAA
SCHEMBL3350938 0.70 KDM6B (0.54) TSHRCYP3A4SLC6A4ALDH1A1GAA
SCHEMBL5750465 0.70 AOC3 (0.45) TSHRALDH1A1RAB9AHTTKDM4E
SCHEMBL1744966 0.69 SLC7A5 (0.55) TSHRCYP3A4SLC6A4ALDH1A1GAA
SCHEMBL3788967 0.69 SLC7A5 (0.55) TSHRCYP3A4SLC6A4ALDH1A1GAA
SCHEMBL11958392 0.68 HPGD (0.50) TSHRSLC6A4ALDH1A1RAB9ALMNA
SCHEMBL3525050 0.68 ALDH1A1 (0.59) TSHRCYP3A4ALDH1A1GAARAB9A
SCHEMBL14199081 0.68 TAAR1 (0.56) CYP3A4SLC6A4GAARAB9ACYP2D6

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 TSHR 4193/4885CYP3A4 2110/4885SLC6A4 4142/4885

“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.