SCHEMBL12081663

SCHEMBL12081663

CC1(C)N=C(c2ccc(C#N)cc2)c2ccc(NS(C)(=O)=O)cc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.47
NR3C2 P08235 5/20 0.45
NR3C1 P04150 4/20 0.45
AR P10275 3/20 0.45
TNIK Q9UKE5 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
HSPD1 P10809 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN5 P54829 1/20 0.36
HSPE1 P61604 1/20 0.36
BACE1 P56817 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
BCL2 P10415 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
SCHEMBL3025036 0.85 NR3C2 (0.48) PGRNR3C2NR3C1ARTNIK
SCHEMBL3017159 0.85 KIF11 (0.49) NR3C2NR3C1ADRA1DADRA1A
SCHEMBL12081775 0.85 CYP17A1 (0.45) NR3C2NR3C1THRBADRA1DADRA1A
SCHEMBL12081678 0.83 KIF11 (0.52) NR3C2NR3C1ARSLC22A12ADRA1D
SCHEMBL14666667 0.82 EGLN2 (0.39) PGRNR3C2NR3C1ARBACE1
SCHEMBL12081699 0.81 GLO1 (0.40) PGRNR3C2ADRA1DADRA1A
SCHEMBL3027015 0.80 NR3C2 (0.39) NR3C2TNIKADRA1A
SCHEMBL3022634 0.80 CYP17A1 (0.45) NR3C2ADRA1DADRA1A
SCHEMBL3026326 0.79 CYP17A1 (0.39) NR3C2ADRA1DADRA1A
SCHEMBL12081721 0.79 KIF11 (0.39) PGRNR3C2NR3C1ARDRD2

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
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 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-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R PGR 215/4885NR3C2 1/4885NR3C1 2/4885

“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.