SCHEMBL292258

SCHEMBL292258

[CH2]CCc1cc(=O)c2ccccc2o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.69
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
SIGMAR1 Q99720 2/20 0.51
NPC1 O15118 5/20 0.49
TNKS O95271 5/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PARP1 P09874 3/20 0.49
HPGD P15428 3/20 0.49
TNKS2 Q9H2K2 3/20 0.49
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 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
SCHEMBL293890 0.90 PPARG (0.65) PPARGCYP11B1CYP11B2SIGMAR1NPC1
SCHEMBL294514 0.89 PPARG (0.63) PPARGCYP11B1CYP11B2SIGMAR1NPC1
SCHEMBL294004 0.87 PPARG (0.61) PPARGCYP11B1CYP11B2SIGMAR1NPC1
SCHEMBL293484 0.86 PPARG (0.63) PPARGCYP11B1CYP11B2SIGMAR1NPC1
SCHEMBL3715533 0.83 PPARG (0.69) PPARGCYP11B1CYP11B2SIGMAR1NPC1
SCHEMBL19925815 0.83 PPARG (0.69) PPARGCYP11B1CYP11B2SIGMAR1NPC1
SCHEMBL30694898 0.83 PPARG (0.69) PPARGCYP11B1CYP11B2SIGMAR1NPC1
SCHEMBL24046912 0.82 PPARG (0.68) PPARGCYP11B1CYP11B2SIGMAR1NPC1
Flidersiachromone SCHEMBL5826185 0.81 PPARG (1.00) PPARGCYP11B1CYP11B2SIGMAR1NPC1
Flidersiachromone SCHEMBL29408800 0.81 PPARG (1.00) PPARGCYP11B1CYP11B2SIGMAR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
EP-1919907-B9 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-01-18 EP disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 PPARG 1049/4885CYP11B1 37/4885CYP11B2 38/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 PPARG 1049/4885CYP11B1 37/4885CYP11B2 38/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 PPARG 1049/4885CYP11B1 37/4885CYP11B2 38/4885

“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.