SCHEMBL4423374

SCHEMBL4423374

Cc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
GPR55 Q9Y2T6 2/20 0.66
CNR1 P21554 1/20 0.66
LMNA P02545 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
SLC6A5 Q9Y345 4/20 0.61
MAPT P10636 3/20 0.61
KMT2A Q03164 2/20 0.60
MAPK1 P28482 2/20 0.60
NPC1 O15118 1/20 0.60
POLB P06746 1/20 0.60
HTT P42858 1/20 0.60
SLC6A9 P48067 3/20 0.59
KCNH2 Q12809 1/20 0.56
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53
PKM P14618 1/20 0.53
RORC P51449 1/20 0.52

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
SCHEMBL16276142 0.84 CNR1 (0.70) ALDH1A1GPR55CNR1LMNASMN1; SMN2
SCHEMBL4423531 0.83 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2SLC6A5MAPT
SCHEMBL4423010 0.82 SLC6A5 (0.74) ALDH1A1LMNASMN1; SMN2SLC6A5MAPT
SCHEMBL4423549 0.80 ALDH1A1 (0.83) ALDH1A1GPR55LMNASMN1; SMN2SLC6A5
SCHEMBL4426219 0.80 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2SLC6A5MAPT
SCHEMBL16276091 0.79 CNR1 (0.62) ALDH1A1GPR55CNR1LMNASMN1; SMN2
SCHEMBL4424444 0.78 KMT2A (0.78) ALDH1A1GPR55LMNASMN1; SMN2SLC6A5
SCHEMBL22767345 0.78 LMNA (0.74) ALDH1A1GPR55LMNASMN1; SMN2SLC6A5
SCHEMBL4421403 0.78 LMNA (0.91) ALDH1A1GPR55LMNASMN1; SMN2SLC6A5
SCHEMBL16276094 0.77 LMNA (0.62) ALDH1A1GPR55CNR1LMNASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 ALDH1A1 395/4885GPR55 210/4885CNR1 711/4885

“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.