SCHEMBL485045

SCHEMBL485045

Cc1ccccc1C(=O)NC1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
TAS1R3 Q7RTX0 6/20 0.50
TAS1R1 Q7RTX1 6/20 0.50
TAS1R2 Q8TE23 4/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CTSS P25774 1/20 0.47
LMNA P02545 1/20 0.46
WDR5 P61964 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL485043 1.00 MEN1 (0.51) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL484111 0.88 PDE4A (0.52) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL484112 0.88 PDE4A (0.52) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL2819144 0.87 TAS1R3 (0.59) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL2819148 0.87 TAS1R3 (0.59) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL13131227 0.87 MEN1 (0.49) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL784469 0.86 HTT (0.62) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL784599 0.86 HTT (0.62) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL785249 0.86 ALDH1A1 (0.61) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL485126 0.86 ALDH1A1 (0.61) KMT2APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN MEN1 901/4885KMT2A 2136/4885PDE4A 1509/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MEN1 901/4885KMT2A 2136/4885PDE4A 1509/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MEN1 2563/4885KMT2A 2222/4885PDE4A 944/4885

“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.