SCHEMBL3084052

SCHEMBL3084052

COC(=O)Cc1ccc2c(c1)NCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.54
PPARD Q03181 3/20 0.54
PPARA Q07869 3/20 0.54
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
ACHE P22303 7/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHEK1 O14757 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL11977139 0.92 GFER (0.47) PPARGPPARDPPARAGAAALDH1A1
SCHEMBL7717114 0.89 KDM4E (0.51) PPARGPPARDPPARAGAAALDH1A1
SCHEMBL3091261 0.82 PPARG (0.49) PPARGPPARDPPARAGAAALDH1A1
SCHEMBL4561083 0.81 PPARG (0.51) PPARGPPARDPPARAALDH1A1ACHE
SCHEMBL8847933 0.81 ALDH1A1 (0.54) PPARGPPARDPPARAGAAALDH1A1
SCHEMBL6274911 0.80 ALDH1A1 (0.47) GAAALDH1A1GFERACHECYP4F2
SCHEMBL23355775 0.78 PPARG (0.47) PPARGPPARDPPARAGAAALDH1A1
SCHEMBL21343776 0.78 ALDH1A1 (0.40) PPARGPPARDPPARAGAAALDH1A1
SCHEMBL11418216 0.78 PPARG (0.48) PPARGPPARDPPARAALDH1A1ACHE
SCHEMBL1711695 0.78 MAOB (0.48) GAAALDH1A1GFERCYP4F2CYP4A11

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
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
EP-2393812-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B PPARG 3042/4885PPARD 2168/4885PPARA 2307/4885

“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.