SCHEMBL5474357

SCHEMBL5474357

OC(CC1CCOc2ccc(F)cc21)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
CTSD P07339 3/20 0.35
BACE1 P56817 3/20 0.35
ADRA2A P08913 2/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
MLNR O43193 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
KCNE1 P15382 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CNR1 P21554 1/20 0.34
SLC6A2 P23975 1/20 0.34
NPY1R P25929 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL5482090 0.85 KDM4C (0.44) KDM4CCTSDBACE1ADRA2AHTR1A
SCHEMBL5473990 0.82 HTR1A (0.49) CTSDBACE1DRD2DRD3HTR1A
SCHEMBL5173622 0.82 HTR1A (0.40) KDM4CHTR1AHTR2BPTGDR2
SCHEMBL5172765 0.82 KCNH2 (0.38) DRD2DRD3HTR2AKCNH2PTGDR2
SCHEMBL5474827 0.77 HSD17B2 (0.41) KDM4CADRA2AHTR1A
SCHEMBL4483311 0.77 PTGDR2 (0.41) KDM4CPTGDR2TRPV1AKR1B1CTNNB1
SCHEMBL10407574 0.77 ADRA2A (0.36) KDM4CADRA2ADRD2DRD3HTR1A
SCHEMBL5479489 0.77 KDM4C (0.38) KDM4CADRA2ADRD2DRD3PTGDR2
SCHEMBL15819872 0.77 HTR2C (0.40) KDM4CADRA2ADRD2DRD3HTR1A
SCHEMBL10244128 0.77 ADRA2A (0.38) KDM4CADRA2ADRD2DRD3HTR1A

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-20070129358-A1 Sbstituted chroman 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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO KDM4C 3261/4885CTSD 221/4885BACE1 1246/4885

“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.