SCHEMBL3919241

SCHEMBL3919241

FC(F)(F)c1cnc(N2CCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.62
CHRM1 P11229 5/20 0.62
ACHE P22303 1/20 0.57
HSD11B1 P28845 1/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
KDM4E B2RXH2 2/20 0.54
CHRM3 P20309 3/20 0.53
BCL2L1 Q07817 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
DRD4 P21917 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CASP1 P29466 2/20 0.51
CASP5 P51878 2/20 0.51
CASP4 P49662 1/20 0.51

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
SCHEMBL6706248 0.81 GAA (0.61) ALDH1A1TSHRKDM4EBCL2L1SIGMAR1
SCHEMBL28511718 0.81 ALDH1A1 (0.60) ALDH1A1TSHRKDM4EBCL2L1SIGMAR1
SCHEMBL23744247 0.81 CHRM2 (0.67) CHRM2CHRM1PPARGPPARDPPARA
SCHEMBL23744150 0.81 CHRM2 (0.75) CHRM2CHRM1CHRM3SIGMAR1CHRM5
SCHEMBL24814441 0.80 OGA (0.60) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL8357217 0.80 ALDH1A1 (0.82) ALDH1A1TSHRKDM4ESIGMAR1DRD4
SCHEMBL29432013 0.78 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRM5
SCHEMBL15807699 0.77 ALDH1A1 (0.63) ALDH1A1TSHRKDM4EBCL2L1SIGMAR1
SCHEMBL16654914 0.76 KDM4E (0.50) CHRM2CHRM1ACHEALDH1A1TSHR
SCHEMBL4322710 0.76 ALDH1A1 (0.52) CHRM2CHRM1ALDH1A1PPARGPPARD

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1874777-B 1-(2-amino-benzoyl)-piperazine derivatives as glycine uptake inhibitors for the treatment of psychoses HOFFMANN LA ROCHE 2012-07-04 CN disclosed
CN-1867554-B Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE 2011-07-06 CN disclosed
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
CN-100522171-C 1-Benzoylpiperazine derivatives as glycine uptake inhibitors for the treatment of psychosis HOFFMANN LA ROCHE (CH) 2009-08-05 CN disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US 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
CN-101356163-A Sulfanyl substituted phenyl methanones as glycine transporter 1 (GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders HOFFMANN LA ROCHE (CH) 2009-01-28 CN disclosed
US-7462617-B2 Substituted acylpiperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 US disclosed
WO-2006072435-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
US-20060149062-A1 Sulfanyl substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 US disclosed
EP-1663232-A1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US disclosed
US-20050059668-A1 Substituted acylpiperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 US disclosed
WO-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO 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
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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 (6 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 CHRM2 2009/4885CHRM1 1327/4885ACHE 70/4885
US-20060149062-A1 Sulfanyl substituted phenyl methanones SULT1A1, SULT2A1, SULT1E1 CHRM2 328/4885CHRM1 207/4885ACHE 1240/4885
US-20050059668-A1 Substituted acylpiperazine derivatives AGPAT5, ACHE, GRIK5 CHRM2 1064/4885CHRM1 965/4885ACHE 2/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT CHRM2 579/4885CHRM1 441/4885ACHE 2/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT CHRM2 579/4885CHRM1 441/4885ACHE 2/4885
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES SULT1A1, SULT2A1, SULT1E1 CHRM2 328/4885CHRM1 207/4885ACHE 1240/4885

“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.