SCHEMBL4422290

SCHEMBL4422290

COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
MAPT P10636 6/20 0.74
ALDH1A1 P00352 3/20 0.74
SLC6A9 P48067 4/20 0.71
SLC6A5 Q9Y345 4/20 0.71
GPR55 Q9Y2T6 1/20 0.64
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
MAPK1 P28482 1/20 0.61
GFER P55789 1/20 0.61
IDE P14735 1/20 0.56
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL28759648 0.89 LMNA (0.76) LMNASMN1; SMN2MAPTALDH1A1SLC6A9
SCHEMBL4421403 0.88 LMNA (0.91) LMNASMN1; SMN2MAPTALDH1A1SLC6A9
SCHEMBL4423014 0.85 LMNA (1.00) LMNASMN1; SMN2MAPTALDH1A1SLC6A9
SCHEMBL3924591 0.85 SLC6A5 (0.85) LMNASMN1; SMN2MAPTALDH1A1SLC6A9
SCHEMBL4426817 0.85 LMNA (0.81) LMNASMN1; SMN2MAPTALDH1A1SLC6A9
SCHEMBL5555422 0.84 SLC6A5 (0.83) LMNASMN1; SMN2MAPTALDH1A1SLC6A9
SCHEMBL3916574 0.83 SLC6A5 (1.00) SMN1; SMN2SLC6A9SLC6A5MAPK1IDE
SCHEMBL27859058 0.81 SLC6A5 (0.78) LMNASMN1; SMN2MAPTALDH1A1SLC6A9
SCHEMBL4423549 0.81 ALDH1A1 (0.83) LMNASMN1; SMN2MAPTALDH1A1SLC6A9
SCHEMBL4423010 0.81 SLC6A5 (0.74) LMNASMN1; SMN2MAPTALDH1A1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522171-C 1-Benzoylpiperazine derivatives as glycine uptake inhibitors for the treatment of psychosis HOFFMANN LA ROCHE (CH) 2009-08-05 CN claimed
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP claimed
JP-2007505062-A 2007-03-08 JP claimed
CN-1878554-A 1-benzoyl-piperazine derivatives as glycine uptake inhibitors for the treatment of psychoses HOFFMANN LA ROCHE (CH) 2006-12-13 CN claimed
EP-1703909-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-09-27 EP claimed
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 US claimed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO claimed
CN-100522171-C 1-Benzoylpiperazine derivatives as glycine uptake inhibitors for the treatment of psychosis HOFFMANN LA ROCHE (CH) 2009-08-05 CN disclosed
EP-1703909-B1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
CN-1878554-A 1-benzoyl-piperazine derivatives as glycine uptake inhibitors for the treatment of psychoses HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
EP-1703909-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-09-27 EP disclosed
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 US disclosed
WO-2005023261-A1 1-BENZOYL-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 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-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 LMNA 4830/4885SMN1; SMN2 473/4885MAPT 94/4885

“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.