SCHEMBL2818486

SCHEMBL2818486

O=C(O)c1ccc2c(c1)C(NC(=O)c1cc(Cl)ccc1F)CC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.45
TAS1R1 Q7RTX1 4/20 0.45
TAS1R2 Q8TE23 3/20 0.45
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
WDR5 P61964 3/20 0.41
GRM5 P41594 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PRSS12 P56730 1/20 0.40
CNR1 P21554 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL2818733 0.90 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2SRD5A1SRD5A2
SCHEMBL2818738 0.90 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2SRD5A1SRD5A2
SCHEMBL13131636 0.88 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL784977 0.86 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL784803 0.86 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL784577 0.84 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL785484 0.84 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL785350 0.83 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL784560 0.83 HPGD (0.55) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL784559 0.83 HPGD (0.55) 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 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.