SCHEMBL1117119

SCHEMBL1117119

CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
HSD11B1 P28845 8/20 0.38
HSD11B2 P80365 5/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
MAPT P10636 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
OPRK1 P41145 3/20 0.36
KCNH2 Q12809 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL1117123 1.00 KMT2A (0.39) KMT2AHSD11B1HSD11B2SUV39H2MAPT
SCHEMBL1117107 0.92 KMT2A (0.41) KMT2AHSD11B1HSD11B2SUV39H2MAPT
SCHEMBL1117104 0.92 KMT2A (0.41) KMT2AHSD11B1HSD11B2SUV39H2MAPT
SCHEMBL2098131 0.87 KDM1A (0.42) KMT2AHSD11B1HSD11B2SUV39H2MAPT
SCHEMBL2098129 0.87 KDM1A (0.42) KMT2AHSD11B1HSD11B2SUV39H2MAPT
SCHEMBL2612630 0.87 KMT2A (0.37) KMT2AHSD11B1HSD11B2SUV39H2MAPT
SCHEMBL1116626 0.85 OPRK1 (0.51) KMT2AOPRK1KCNH2OPRM1OPRD1
SCHEMBL1116628 0.85 OPRK1 (0.51) KMT2AOPRK1KCNH2OPRM1OPRD1
SCHEMBL2620566 0.85 USP2 (0.39) OPRK1KCNH2OPRM1OPRD1
SCHEMBL1117088 0.81 CXCR6 (0.47) KMT2AOPRK1KCNH2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US claimed
EP-2280966-A1 AZABICYCLO [3.2.1]OCTYL DERIVATIVES AS 11 BETA-HSD1 MODULATORS Exelixis, Inc. (US) 2011-02-09 EP claimed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US claimed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US claimed
WO-2009114173-A1 AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS EXELIXIS, INC. (US) 2009-09-17 WO claimed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 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 (2 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 KMT2A 2538/4885HSD11B1 1/4885HSD11B2 2/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 KMT2A 1907/4885HSD11B1 1/4885HSD11B2 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.