SCHEMBL1116633

SCHEMBL1116633

COC(=O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](N)C3)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.49
HSP90AB1 P08238 9/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CRBN Q96SW2 4/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.45
DDB1 Q16531 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1116635 1.00 HSP90AA1 (0.49) HSP90AA1HSP90AB1RAB9ANPC1KMT2A
SCHEMBL2431060 0.86 HRH3 (0.47) HSP90AA1HSP90AB1HRH3
SCHEMBL2431057 0.86 HRH3 (0.47) HSP90AA1HSP90AB1HRH3
SCHEMBL13691362 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1RAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL2424706 0.85 HRH3 (0.46) HSP90AA1HSP90AB1HRH3
Hydrochloric Acid SCHEMBL2424702 0.85 HRH3 (0.46) HSP90AA1HSP90AB1HRH3
SCHEMBL2425371 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1HRH3
SCHEMBL2425370 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1HRH3
SCHEMBL2424922 0.84 HSP90AA1 (0.53) HSP90AA1HSP90AB1HRH3
SCHEMBL2424920 0.84 HSP90AA1 (0.53) HSP90AA1HSP90AB1HRH3

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 411/4885RAB9A 2675/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 HSP90AA1 376/4885HSP90AB1 336/4885RAB9A 2471/4885

“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.