SCHEMBL4423014

SCHEMBL4423014

O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 1.00
MAPT P10636 2/20 1.00
SMN1; SMN2 Q16637 3/20 0.86
ALDH1A1 P00352 4/20 0.79
GPR55 Q9Y2T6 1/20 0.64
KMT2A Q03164 3/20 0.62
SLC6A9 P48067 5/20 0.61
SLC6A5 Q9Y345 5/20 0.61
IDE P14735 1/20 0.59
POLB P06746 2/20 0.59
MAPK1 P28482 3/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 1/20 0.56
USP2 O75604 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
SCHEMBL4421403 0.91 LMNA (0.91) LMNAMAPTSMN1; SMN2ALDH1A1GPR55
SCHEMBL4426817 0.85 LMNA (0.81) LMNAMAPTSMN1; SMN2ALDH1A1GPR55
SCHEMBL4422290 0.85 LMNA (0.81) LMNAMAPTSMN1; SMN2ALDH1A1GPR55
SCHEMBL4423549 0.84 ALDH1A1 (0.83) LMNAMAPTSMN1; SMN2ALDH1A1GPR55
SCHEMBL28759648 0.83 LMNA (0.76) LMNAMAPTSMN1; SMN2ALDH1A1GPR55
SCHEMBL13687887 0.82 IDE (0.88) LMNAMAPTSMN1; SMN2SLC6A9SLC6A5
SCHEMBL4423531 0.82 ALDH1A1 (0.72) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL22767345 0.81 LMNA (0.74) LMNAMAPTSMN1; SMN2ALDH1A1GPR55
SCHEMBL4424727 0.81 ALDH1A1 (0.73) LMNAMAPTSMN1; SMN2ALDH1A1GPR55
SCHEMBL22766914 0.80 SMN1; SMN2 (0.73) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A

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 4830/4885MAPT 94/4885SMN1; SMN2 473/4885

“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.