SCHEMBL1874690

SCHEMBL1874690

CC1COc2ccc(OS(=O)(=O)C(F)(F)F)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
CHRM1 P11229 1/20 0.39
DRD4 P21917 1/20 0.39
HSD11B1 P28845 1/20 0.38
HTR1D P28221 1/20 0.38
MTNR1A P48039 1/20 0.37
FFAR1 O14842 2/20 0.36
HTR6 P50406 2/20 0.36
ALOX5 P09917 2/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL1874964 0.84 CA2 (0.45) DRD3MTNR1AALOX5CA2
SCHEMBL1874689 0.83 DRD2 (0.37) DRD2DRD3CHRM1DRD4HSD11B1
SCHEMBL6938761 0.79 MAOB (0.47) DRD2DRD3CHRM1DRD4HTR1D
SCHEMBL1878665 0.77 MTNR1A (0.51) MTNR1AFFAR1
SCHEMBL16339767 0.77 DRD2 (0.42) DRD2DRD3CHRM1DRD4HSD11B1
SCHEMBL25351239 0.75 MTNR1A (0.39) MTNR1AFFAR1ALOX5
SCHEMBL31550590 0.75 MTNR1A (0.39) MTNR1AFFAR1ALOX5
SCHEMBL21270524 0.75 CA2 (0.38) DRD2DRD3CHRM1DRD4HSD11B1
SCHEMBL21270522 0.75 CA2 (0.38) DRD2DRD3CHRM1DRD4HSD11B1
SCHEMBL21178299 0.75 PPARG (0.38) DRD2DRD3HSD11B1HTR1DFFAR1

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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 DRD2 4/4885DRD3 20/4885CHRM1 85/4885

“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.