SCHEMBL3931311

SCHEMBL3931311

CS(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
SLC6A9 P48067 4/20 0.64
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 3/20 0.49
TSHR P16473 1/20 0.49
PTGS2 P35354 1/20 0.49
GPR55 Q9Y2T6 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.48
CNR1 P21554 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL1813356 0.98 PKM (0.62) PKMSLC6A9ALDH1A1SMN1; SMN2LMNA
SCHEMBL1811174 0.86 SMN1; SMN2 (0.74) PKMSLC6A9ALDH1A1SMN1; SMN2LMNA
SCHEMBL4930161 0.86 PKM (0.62) PKMSLC6A9ALDH1A1SMN1; SMN2LMNA
SCHEMBL8805891 0.85 PKM (0.64) PKMSLC6A9ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4937034 0.85 SLC6A9 (0.60) PKMSLC6A9ALDH1A1SMN1; SMN2LMNA
SCHEMBL11161191 0.85 L3MBTL1 (0.67) PKMALDH1A1L3MBTL1KDM4EGPR55
SCHEMBL4938503 0.85 PKM (0.60) PKMSLC6A9ALDH1A1SMN1; SMN2LMNA
SCHEMBL3923685 0.85 PKM (0.60) PKMSLC6A9ALDH1A1SMN1; SMN2LMNA
SCHEMBL4939048 0.85 SMN1; SMN2 (0.51) PKMSLC6A9ALDH1A1SMN1; SMN2LMNA
SCHEMBL3919994 0.84 PKM (0.60) PKMSLC6A9ALDH1A1SMN1; SMN2L3MBTL1

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 21 patents — showing the first 20. 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
US-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors GLAXO GROUP LIMITED 2008-04-17 US disclosed
EP-1856077-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-21 EP 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
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
WO-2006094843-A1 PIPERAZINE DERIVATIVES AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO 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
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 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-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
EP-0556673-B1 Ortho-substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as medicaments containing them HOECHST AG (DE) 1997-09-17 EP disclosed
EP-0556673-A1 Ortho-substituted benzoylguanidines for the treatment and prophylaxis of heart-rhythm disorders and ischaemically induced damage, as well as inhibition of cell proliferation HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-25 EP 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 (3 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-20080090822-A1 Piperazine Derivatives As Glyt 1 Inhibitors SLC6A7, SLC6A5, SLC1A2 PKM 2767/4885SLC6A9 22/4885ALDH1A1 1381/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT PKM 1456/4885SLC6A9 4305/4885ALDH1A1 582/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT PKM 1456/4885SLC6A9 4305/4885ALDH1A1 582/4885

“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.