SCHEMBL2817253

SCHEMBL2817253

COc1ccc(C(=O)NC2CCc3ccc(C(=O)O)cc32)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.53
TAS1R1 Q7RTX1 3/20 0.53
TAS1R2 Q8TE23 2/20 0.52
PDE10A Q9Y233 2/20 0.49
HPGDS O60760 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
WDR5 P61964 5/20 0.43
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PYGL P06737 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL2817248 1.00 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2PDE10AHPGDS
SCHEMBL15226670 0.92 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2PDE10AHPGDS
SCHEMBL13131204 0.92 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2PDE10AHPGDS
SCHEMBL2820001 0.89 PDE10A (0.51) TAS1R3TAS1R1TAS1R2PDE10AHPGDS
SCHEMBL2819996 0.89 PDE10A (0.51) TAS1R3TAS1R1TAS1R2PDE10AHPGDS
SCHEMBL484459 0.85 HPGDS (0.59) TAS1R3TAS1R1PDE10AHPGDSPDE4A
SCHEMBL2816607 0.85 HPGDS (0.59) TAS1R3TAS1R1PDE10AHPGDSPDE4A
SCHEMBL784559 0.84 HPGD (0.55) TAS1R3TAS1R1TAS1R2PDE10APDE4A
SCHEMBL784560 0.84 HPGD (0.55) TAS1R3TAS1R1TAS1R2PDE10APDE4A
SCHEMBL785249 0.82 ALDH1A1 (0.61) TAS1R3TAS1R1TAS1R2PDE4APDE4B

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.