SCHEMBL4423010

SCHEMBL4423010

COc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.74
ALDH1A1 P00352 6/20 0.71
MAPT P10636 6/20 0.71
LMNA P02545 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
MAPK1 P28482 2/20 0.71
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
SLC6A9 P48067 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.55
RORC P51449 1/20 0.55
TSHR P16473 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL4426219 0.89 ALDH1A1 (0.64) SLC6A5ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4423531 0.84 ALDH1A1 (0.72) SLC6A5ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4423374 0.82 ALDH1A1 (0.66) SLC6A5ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1580405 0.81 MAPT (0.86) SLC6A5ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4422290 0.81 LMNA (0.81) SLC6A5ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6977711 0.78 TDP1 (0.67) SLC6A5ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5555354 0.78 SLC6A5 (0.61) SLC6A5ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9652235 0.78 TACR3 (0.64) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL1083138 0.78 KDM4E (0.67) SLC6A5ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL15391213 0.78 ALDH1A1 (0.64) SLC6A5ALDH1A1MAPTLMNASMN1; SMN2

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 SLC6A5 284/4885ALDH1A1 395/4885MAPT 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.