SCHEMBL4428800

SCHEMBL4428800

CN(C)c1ncnc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3-c3ccccc3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.59
GPR55 Q9Y2T6 3/20 0.49
SLC6A7 Q99884 2/20 0.47
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
GBA1 P04062 1/20 0.40
RAB9A P51151 2/20 0.39
GPR6 P46095 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4432888 0.85 SLC6A9 (0.59) SLC6A9GPR55SLC6A7TSHRALDH1A1
SCHEMBL3929277 0.81 SLC6A9 (0.58) SLC6A9GPR55ALDH1A1
SCHEMBL4435757 0.80 SLC6A9 (0.67) SLC6A9GPR55SLC6A7KDM4E
SCHEMBL4434158 0.79 SLC6A9 (0.80) SLC6A9GPR55SLC6A7TSHRALDH1A1
SCHEMBL4424927 0.79 SLC6A9 (0.74) SLC6A9GPR55
SCHEMBL4429477 0.78 SLC6A9 (0.75) SLC6A9GPR55SLC6A7
SCHEMBL4423440 0.76 SLC6A9 (0.78) SLC6A9GPR55
SCHEMBL13995671 0.76 SLC6A9 (0.78) SLC6A9GPR55
SCHEMBL4939281 0.75 SLC6A9 (0.74) SLC6A9GPR55
SCHEMBL4936327 0.75 SLC6A9 (1.00) SLC6A9GPR55

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 9 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 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
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US 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 SLC6A9 2325/4885GPR55 210/4885SLC6A7 160/4885

“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.