SCHEMBL484623

SCHEMBL484623

O=C(O)c1ccc2c(c1)C(NC(=O)C(F)(F)F)CC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
KCNH2 Q12809 1/20 0.43
WDR5 P61964 3/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
NQO2 P16083 5/20 0.41
HTT P42858 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD3 P35462 1/20 0.38
CTSS P25774 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL784931 0.90 WDR5 (0.43) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL784930 0.90 WDR5 (0.43) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL784704 0.86 TAS1R3 (0.45) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL784705 0.86 TAS1R3 (0.45) WDR5PDE4APDE4BPDE4CPDE4D
SCHEMBL485027 0.86 MEN1 (0.48) HTR1ADRD2KCNH2PDE4APDE4B
SCHEMBL485026 0.86 MEN1 (0.48) HTR1ADRD2KCNH2PDE4APDE4B
SCHEMBL5738480 0.85 HTR1A (0.42) HTR1ADRD2KCNH2WDR5PDE4A
SCHEMBL5484579 0.85 HTR1A (0.42) HTR1ADRD2KCNH2WDR5PDE4A
SCHEMBL31277918 0.83 PDE10A (0.47) HTR1ADRD2KCNH2MTNR1AMTNR1B
SCHEMBL6260142 0.82 HTR1A (0.43) HTR1ADRD2KCNH2MTNR1AMTNR1B

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 5 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
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
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 HTR1A 610/4885DRD2 520/4885KCNH2 257/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HTR1A 610/4885DRD2 520/4885KCNH2 257/4885

“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.