SCHEMBL484459

SCHEMBL484459

COc1ccc2cc(C(=O)NC3CCc4ccc(C(=O)O)cc43)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.59
KDM4E B2RXH2 1/20 0.57
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
SMYD3 Q9H7B4 1/20 0.50
WDR5 P61964 6/20 0.49
PDE10A Q9Y233 1/20 0.48
ROCK2 O75116 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2816607 1.00 HPGDS (0.59) HPGDSKDM4EPDE4APDE4BPDE4C
SCHEMBL2817783 0.92 HPGDS (0.58) HPGDSKDM4EPDE4APDE4BPDE4C
SCHEMBL2817785 0.92 HPGDS (0.58) HPGDSKDM4EPDE4APDE4BPDE4C
SCHEMBL2819996 0.87 PDE10A (0.51) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL2820001 0.87 PDE10A (0.51) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL2817253 0.85 TAS1R3 (0.53) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL2817248 0.85 TAS1R3 (0.53) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL2818317 0.83 WDR5 (0.51) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL784469 0.79 HTT (0.62) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL784599 0.79 HTT (0.62) KDM4EPDE4APDE4BPDE4CPDE4D

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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HPGDS 501/4885KDM4E 2721/4885PDE4A 1509/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HPGDS 501/4885KDM4E 2721/4885PDE4A 1509/4885

“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.