SCHEMBL731090

SCHEMBL731090

N#Cc1ccc2c(c1)CCC=C2OS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
CYP19A1 P11511 4/20 0.41
BACE1 P56817 1/20 0.41
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
STS P08842 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PNMT P11086 2/20 0.33
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
MIF P14174 1/20 0.32
PDK2 Q15119 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL5088660 0.82 DRD2 (0.34) CYP19A1CYP11B1CYP11B2MAOAMAOB
SCHEMBL18845471 0.81 METAP1 (0.37) DRD2DRD3CHRM1DRD4
SCHEMBL30940171 0.80 MPO (0.51) MIF
SCHEMBL19127634 0.80 MPO (0.51) MIF
SCHEMBL29631990 0.78 MPO (0.37) MAOBDRD2DRD3CA1CA2
SCHEMBL20211920 0.78 MPO (0.37) MAOBDRD2DRD3CA1CA2
SCHEMBL30475404 0.77 DRD2 (0.40) MAOBDRD2DRD3CHRM1DRD4
SCHEMBL5104747 0.77 DRD2 (0.40) MAOBDRD2DRD3CHRM1DRD4
SCHEMBL5364953 0.76 DRD2 (0.31) DRD2DRD3
SCHEMBL18850177 0.75 MAOB (0.44) MAOAMAOBDRD2DRD3PDK2

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
EP-2010540-B1 SPIRO-IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2012-12-05 EP disclosed
US-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
EP-2010540-A1 SPIRO-IMIDAZO COMPOUNDS Speedel Experimenta AG (CH) 2009-01-07 EP disclosed
WO-2007116098-A1 SPIRO-IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 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 (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-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 AKR1C3 20/4885CYP19A1 104/4885BACE1 2703/4885

“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.