SCHEMBL20478409

SCHEMBL20478409

COc1ccc2c(c1)CCC2C(=O)NS(=O)(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
SLC6A9 P48067 1/20 0.41
NPY5R Q15761 3/20 0.41
STS P08842 1/20 0.41
PPARD Q03181 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CYP26A1 O43174 1/20 0.40
CYP24A1 Q07973 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GRIN2B Q13224 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
GRIN1 Q05586 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
SCHEMBL20478514 0.85 KCNQ2 (0.44) TAS1R3TAS1R1TAS1R2
SCHEMBL20478613 0.83 DRD4 (0.47) DRD4TAS1R3TAS1R1TAS1R2
SCHEMBL20478730 0.81 CA1 (0.39)
SCHEMBL20478416 0.80 PSMB5 (0.40) TAS1R3TAS1R1TAS1R2
SCHEMBL20478382 0.80 DRD4 (0.51) DRD4TAS1R3TAS1R1TAS1R2
SCHEMBL20478697 0.80 DRD4 (0.51) DRD4TAS1R3TAS1R1TAS1R2
SCHEMBL20478606 0.79 DRD4 (0.38) NPY5RSTSDRD4
SCHEMBL20478522 0.78 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL20478368 0.78 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL20478364 0.78 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US claimed
WO-2018154519-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO claimed
WO-2018154519-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
US-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 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 (1 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-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G HRH1 2858/4885CCR3 1996/4885SLC6A9 985/4885

“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.