SCHEMBL3923398

SCHEMBL3923398

CCS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ccc(C#N)c(F)c3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.58
CNR1 P21554 3/20 0.52
GPR55 Q9Y2T6 4/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.44
CNR2 P34972 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 3/20 0.44

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
SCHEMBL3919681 0.94 SLC6A9 (0.56) SLC6A9CNR1GPR55ALDH1A1MAPT
SCHEMBL3927211 0.92 SLC6A9 (0.58) SLC6A9
SCHEMBL13760024 0.91 SLC6A9 (0.55) SLC6A9CNR1GPR55ALDH1A1MAPT
SCHEMBL3928611 0.91 SLC6A9 (0.70) SLC6A9CNR1GPR55KCNH2
SCHEMBL3923858 0.90 SLC6A9 (0.72) SLC6A9CNR1GPR55KCNH2
SCHEMBL3917357 0.90 SLC6A9 (0.55) SLC6A9CNR1GPR55ALDH1A1MAPT
SCHEMBL3920341 0.89 SLC6A9 (0.58) SLC6A9CNR1GPR55ALDH1A1MAPT
SCHEMBL3919675 0.88 SLC6A9 (0.57) SLC6A9CNR1GPR55ALDH1A1MAPT
SCHEMBL3927734 0.88 SLC6A9 (0.57) SLC6A9CNR1GPR55ALDH1A1MAPT
SCHEMBL3921330 0.88 SLC6A9 (0.59) SLC6A9CNR1GPR55ALDH1A1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
US-7427612-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US disclosed
EP-1663232-B1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US 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 (2 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-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT SLC6A9 4305/4885CNR1 884/4885GPR55 194/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT SLC6A9 4305/4885CNR1 884/4885GPR55 194/4885

“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.