SCHEMBL1116640

SCHEMBL1116640

O=C(NC1CC1)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2(c4ccc(Cl)cc4)CC2)C3)nc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.51
HSP90AB1 P08238 16/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AVPR1A P37288 1/20 0.45
HSD11B1 P28845 1/20 0.42

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
SCHEMBL1116644 1.00 HSP90AA1 (0.51) HSP90AA1HSP90AB1MEN1KMT2AAVPR1A
SCHEMBL2097924 0.96 HSP90AA1 (0.50) HSP90AA1HSP90AB1MEN1KMT2AAVPR1A
SCHEMBL2099089 0.96 HSP90AA1 (0.50) HSP90AA1HSP90AB1MEN1KMT2AAVPR1A
SCHEMBL2098760 0.96 HSP90AA1 (0.50) HSP90AA1HSP90AB1MEN1KMT2AAVPR1A
SCHEMBL2097925 0.96 HSP90AA1 (0.50) HSP90AA1HSP90AB1MEN1KMT2AAVPR1A
SCHEMBL13691364 0.91 AVPR1A (0.44) HSP90AA1HSP90AB1MEN1KMT2AAVPR1A
SCHEMBL1116982 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL1116726 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL1116728 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL1116977 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1

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-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
EP-2280966-A1 AZABICYCLO [3.2.1]OCTYL DERIVATIVES AS 11 BETA-HSD1 MODULATORS Exelixis, Inc. (US) 2011-02-09 EP 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
WO-2009114173-A1 AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS EXELIXIS, INC. (US) 2009-09-17 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 (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 HSP90AA1 529/4885HSP90AB1 411/4885MEN1 1611/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 HSP90AA1 376/4885HSP90AB1 336/4885MEN1 1393/4885

“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.