SCHEMBL1376779

SCHEMBL1376779

CCOc1ccc2nc(N3CCN(C(=O)c4cc(S(C)(=O)=O)ccc4OC(C)C)CC3)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.65
MAPT P10636 10/20 0.62
LMNA P02545 6/20 0.58
SLC6A9 P48067 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL1380238 0.91 MAPT (0.56) TP53MAPTLMNASLC6A9NPC1
SCHEMBL1378333 0.87 NPC1 (0.58) MAPTSLC6A9NPC1RAB9AKCNH2
SCHEMBL4056704 0.85 RAB9A (0.59) TP53MAPTSLC6A9SMN1; SMN2NPC1
SCHEMBL1378682 0.82 SLC6A9 (0.55) SLC6A9NPC1RAB9AKCNH2
SCHEMBL2828643 0.80 SLC6A9 (0.60) SLC6A9KCNH2
SCHEMBL4055390 0.79 SLC6A9 (0.64) SLC6A9KCNH2
SCHEMBL4237863 0.79 SLC6A9 (0.64) SLC6A9KCNH2
SCHEMBL1376859 0.79 SLC6A9 (0.55) TP53MAPTSLC6A9KCNH2
SCHEMBL2825795 0.79 SLC6A9 (0.61) SLC6A9KCNH2
SCHEMBL2826723 0.78 SLC6A9 (0.56) SLC6A9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4762250-B2 2011-08-31 JP 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
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
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
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 US disclosed
US-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups JOLIDON SYNESE 2007-09-20 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 (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-20070219207-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups GRIK5, GRM5, GRIN2C TP53 4469/4885MAPT 975/4885LMNA 3065/4885
US-20060128712-A1 Phenyl-piperazine methanone derivatives, substituted by heterocyclic groups HTR5A, NPY5R, GRM5 TP53 4429/4885MAPT 1153/4885LMNA 2958/4885

“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.