SCHEMBL484952

SCHEMBL484952

O=C(O)c1ccc2c(c1)C(NC(=O)c1cccc(Cl)c1Cl)CC2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.57
TAS1R1 Q7RTX1 12/20 0.57
TAS1R2 Q8TE23 11/20 0.57
P2RX7 Q99572 1/20 0.52
ALDH1A1 P00352 1/20 0.50
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HTT P42858 1/20 0.43
PYGL P06737 1/20 0.42
PYGM P11217 1/20 0.42

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
SCHEMBL2819077 1.00 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2P2RX7ALDH1A1
SCHEMBL485126 0.91 ALDH1A1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL785249 0.91 ALDH1A1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL484760 0.91 ALDH1A1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL784577 0.89 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL785484 0.89 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL13131205 0.88 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2P2RX7ALDH1A1
SCHEMBL15226782 0.88 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2P2RX7ALDH1A1
SCHEMBL2818813 0.87 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL2818817 0.87 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A

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 12 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 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
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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
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 TAS1R3 339/4885TAS1R1 107/4885TAS1R2 282/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TAS1R3 339/4885TAS1R1 107/4885TAS1R2 282/4885

“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.