SCHEMBL5546352

SCHEMBL5546352

COc1c(F)ccc2c1C(C)(C)CC(O)(C(F)(F)F)C2NC(=O)c1ccc2occc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.44
HTR3A P46098 4/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
NR3C1 P04150 3/20 0.36
PGR P06401 2/20 0.35
AR P10275 2/20 0.35
IDO1 P14902 2/20 0.33
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
HTR1B P28222 1/20 0.33
TAS1R2 Q8TE23 1/20 0.32
NAMPT P43490 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14496162 1.00 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL5546347 1.00 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL5546350 1.00 CHRNA7 (0.44) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL5534978 0.89 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL5534973 0.89 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL5534982 0.89 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL5537977 0.89 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL5537980 0.89 CHRNA7 (0.46) CHRNA7HTR3AHTR3EHTR3BCYP2D6
SCHEMBL5540217 0.86 MCHR1 (0.40) NR3C1PGRAR
SCHEMBL5540213 0.86 MCHR1 (0.40) NR3C1PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129359-A1 Tetrahydronaphthalene derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 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-20070129359-A1 Tetrahydronaphthalene derivatives, processes for their preparation and their use as antiinflammatory agents TNF, IL1B, PTGS1 CHRNA7 3663/4885HTR3A 1086/4885HTR3E 1218/4885

“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.