SCHEMBL1378682

SCHEMBL1378682

CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nc3cc(Cl)ccc3s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.55
KCNH2 Q12809 5/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SLC6A5 Q9Y345 3/20 0.48

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
SCHEMBL1378333 0.93 NPC1 (0.58) SLC6A9KCNH2NPC1RAB9A
SCHEMBL4237863 0.85 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL4055390 0.85 SLC6A9 (0.64) SLC6A9KCNH2SLC6A5
SCHEMBL1380238 0.84 MAPT (0.56) SLC6A9KCNH2NPC1RAB9A
SCHEMBL4056704 0.83 RAB9A (0.59) SLC6A9KCNH2NPC1RAB9A
SCHEMBL2828643 0.82 SLC6A9 (0.60) SLC6A9KCNH2SLC6A5
SCHEMBL4066460 0.82 SLC6A9 (0.63) SLC6A9KCNH2SLC6A5
SCHEMBL2827877 0.82 SLC6A9 (0.52) SLC6A9KCNH2SLC6A5
SCHEMBL1376779 0.82 TP53 (0.65) SLC6A9KCNH2NPC1RAB9A
SCHEMBL1376859 0.81 SLC6A9 (0.55) SLC6A9KCNH2SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4762250-B2 2011-08-31 JP claimed
CN-101072762-B Phenyl-piperazin methanone derivatives HOFFMANN LA ROCHE 2010-06-23 CN claimed
EP-1828154-B1 PHENYL-PIPERAZIN METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-29 EP claimed
JP-2008522993-A 2008-07-03 JP claimed
CN-101072762-A Phenyl-piperazin methanone derivatives HOFFMANN LA ROCHE (CH) 2007-11-14 CN claimed
EP-1828154-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-05 EP claimed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US claimed
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 US claimed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO claimed
CN-101072762-B Phenyl-piperazin methanone derivatives HOFFMANN LA ROCHE 2010-06-23 CN disclosed
EP-1828154-B1 PHENYL-PIPERAZIN METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-29 EP disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
US-7429585-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE (US) 2008-09-30 US disclosed
EP-1828154-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241761-B2 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HOFFMANN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 US disclosed
WO-2006061135-A1 PHENYL-PIPERAZIN METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 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-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HTR5A, NPY5R, GRM5 SLC6A9 4053/4885KCNH2 228/4885NPC1 1697/4885

“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.