SCHEMBL2818921

SCHEMBL2818921

O=C(O)c1ccc2c(c1)C(NC(=O)c1c(Cl)cccc1C(F)(F)F)CC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.51
TAS1R1 Q7RTX1 4/20 0.51
TAS1R2 Q8TE23 3/20 0.51
WDR5 P61964 1/20 0.45
RORC P51449 10/20 0.44
TYK2 P29597 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP2C9 P11712 1/20 0.40
PPARG P37231 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
SCHEMBL2818919 1.00 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2WDR5RORC
SCHEMBL2818817 0.92 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL2818813 0.92 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL2819195 0.89 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2WDR5TYK2
SCHEMBL2819193 0.89 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2WDR5TYK2
SCHEMBL2820261 0.89 WDR5 (0.45) TAS1R3TAS1R1TAS1R2WDR5RORC
SCHEMBL2820264 0.89 WDR5 (0.45) TAS1R3TAS1R1TAS1R2WDR5RORC
SCHEMBL785761 0.86 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2RORCPDE4A
SCHEMBL785760 0.86 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2RORCPDE4A
SCHEMBL785747 0.86 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2WDR5TRPV1

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 3 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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.