SCHEMBL5774775

SCHEMBL5774775

O=C1COc2ccc(C(O)CN3CCN(C(=O)O)CC3)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
OPRK1 P41145 1/20 0.43
PKM P14618 1/20 0.43
PARP1 P09874 2/20 0.43
MMP12 P39900 1/20 0.42
NR3C2 P08235 1/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3783255 0.85 PARP1 (0.45) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL5763201 0.85 PARP1 (0.48) DRD4DRD2ALDH1A1MAPTPARP1
SCHEMBL5655518 0.85 PARP1 (0.48) DRD4DRD2ALDH1A1MAPTPARP1
SCHEMBL3786601 0.85 ALDH1A1 (0.47) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL531953 0.80 DRD4 (0.70) DRD4DRD2DRD3PARP1
SCHEMBL4759018 0.79 DRD2 (0.44) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL5774571 0.78 ALDH1A1 (0.61) ALDH1A1MAPTPKMNR3C2GAA
SCHEMBL10541953 0.76 MMP12 (0.52) ALDH1A1MAPTPKMPARP1MMP12
SCHEMBL2304612 0.76 HTR1A (0.72) DRD2
SCHEMBL18918645 0.76 HTR1A (0.72) DRD2

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-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP claimed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US claimed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP claimed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 WO claimed
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP disclosed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 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-20040077655-A1 Piperazine derivatives for treatment of bacterial infections MYD88, THPO, PIGO DRD4 2384/4885DRD2 1758/4885DRD3 1991/4885

“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.