SCHEMBL8070504

SCHEMBL8070504

CC(c1ccc(F)cc1)N1C(=O)CC2(C)CCCCN2C1=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.37
ALDH1A1 P00352 1/20 0.34
USP1 O94782 1/20 0.33
CYP3A4 P08684 3/20 0.32
HTR1A P08908 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
SLC6A9 P48067 1/20 0.31
ACHE P22303 1/20 0.31
MARK3 P27448 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
SCHEMBL8068703 0.72 RORC (0.41) ALDH1A1
SCHEMBL8054712 0.70 HPGD (0.41) HSD11B1ALDH1A1USP1MARK3
SCHEMBL8663972 0.69 IDH1 (0.40) HSD11B1USP1CYP3A4CYP2C9CYP2C19
SCHEMBL20988982 0.64 ALDH1A1 (0.51) HSD11B1ALDH1A1SLC6A9
SCHEMBL8032553 0.64 MEN1 (0.46) HSD11B1ALDH1A1USP1
SCHEMBL8055227 0.64 MEN1 (0.46) HSD11B1ALDH1A1USP1
SCHEMBL2873080 0.63 HSD11B1 (0.49) HSD11B1CYP3A4CYP2C9CYP2C19ADRA1A
SCHEMBL4083045 0.63 HSD11B1 (0.49) HSD11B1CYP3A4CYP2C9CYP2C19ADRA1A
SCHEMBL12913657 0.63 RIPK3 (0.40) HSD11B1ALDH1A1USP1MARK3
SCHEMBL4092929 0.60 HSD11B1 (0.49) HSD11B1ALDH1A1CYP3A4CYP2C9CYP2C19

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-20110009392-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-13 US disclosed
US-20110009392-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-13 US disclosed
WO-2009020580-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 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-20110009392-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HSD11B1 2265/4885ALDH1A1 3991/4885USP1 651/4885

“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.