SCHEMBL2817878

SCHEMBL2817878

COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cc(Cl)ccc1Cl)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.50
TAS1R1 Q7RTX1 5/20 0.50
TAS1R2 Q8TE23 4/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE10A Q9Y233 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SPTLC2 O15270 1/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 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
SCHEMBL2817877 1.00 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL13131636 0.90 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL2819704 0.89 PDE10A (0.49) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL803564 0.89 PDE10A (0.49) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL803549 0.88 ALDH1A1 (0.58) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL784965 0.88 ALDH1A1 (0.58) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL484334 0.88 ALDH1A1 (0.58) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL2818733 0.88 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL2818738 0.88 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL803188 0.87 PDE4A (0.47) TAS1R3TAS1R1PDE4APDE4BPDE4C

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 10 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
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

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.