SCHEMBL4835696

SCHEMBL4835696

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nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.49
PPARG P37231 6/20 0.47
CTSK P43235 7/20 0.44
CTSS P25774 6/20 0.44
IDO1 P14902 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ACE P12821 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
PPARD Q03181 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL29915584 0.88 PPARA (0.47) PPARAPPARGCTSKCTSSIDO1
SCHEMBL263105 0.88 PPARA (0.47) PPARAPPARGCTSKCTSSIDO1
SCHEMBL1100322 0.87 PPARA (0.51) PPARAPPARGCTSKCTSSIDO1
SCHEMBL1088542 0.87 PPARA (0.51) PPARAPPARGCTSKCTSSIDO1
SCHEMBL22468776 0.83 PPARA (0.50) PPARAPPARGCTSKCTSSIDO1
SCHEMBL22468774 0.83 PPARA (0.50) PPARAPPARGCTSKCTSSIDO1
SCHEMBL4836818 0.82 PPARA (0.56) PPARAPPARGCTSKCTSSIDO1
SCHEMBL14156695 0.82 PPARA (0.56) PPARAPPARGCTSKCTSSIDO1
SCHEMBL4836815 0.82 PPARA (0.56) PPARAPPARGCTSKCTSSIDO1
SCHEMBL7208742 0.81 CTSS (0.47) PPARAPPARGCTSKCTSSIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 PPARA 405/4885PPARG 148/4885CTSK 4128/4885

“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.