SCHEMBL4512149

SCHEMBL4512149

CC1(O)CCC(N2CCC(Cc3ccc(OS(=O)(=O)C(F)(F)F)cc3Cl)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
DRD3 P35462 5/20 0.33
DRD2 P14416 4/20 0.33
DRD4 P21917 3/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
CHRM1 P11229 1/20 0.32
HTR1D P28221 1/20 0.32
MMP1 P03956 2/20 0.32
ADAMTS4 O75173 1/20 0.32
TNF P01375 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAMTS1 Q9UHI8 1/20 0.32
ADAMTS5 Q9UNA0 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
SCHEMBL13675463 0.90 HSD11B1 (0.37) HSD11B1DRD3DRD2DRD4DRD1
SCHEMBL4510197 0.88 OPRM1 (0.39) HSD11B1FFAR4CYP27A1CYP24A1
SCHEMBL13674485 0.88 OPRM1 (0.39) HSD11B1FFAR4CYP27A1CYP24A1
SCHEMBL4509399 0.85 MCL1 (0.39) HSD11B1FFAR4FFAR1
SCHEMBL4525933 0.85 HSD11B1 (0.41) HSD11B1FFAR1
SCHEMBL4525019 0.84 FFAR4 (0.41) HSD11B1FFAR4
SCHEMBL4506045 0.84 HRH3 (0.39) HSD11B1
SCHEMBL4505225 0.83 HSP90AA1 (0.39) HSD11B1
SCHEMBL4514955 0.83 S1PR1 (0.40) HSD11B1MMP1FFAR4FFAR1
SCHEMBL5541263 0.83 PIM1 (0.38) HSD11B1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885DRD3 3583/4885DRD2 4099/4885

“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.