SCHEMBL2108480

SCHEMBL2108480

COC(=O)[C@@H]1NC[C@@H]2[C@H]1C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
ATM Q13315 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
SCHEMBL13762174 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8232225 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30872937 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL685097 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2055320 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7721751 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2055326 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1569371 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21442028 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL680110 0.98 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100145069-A1 PROCESS FOR THE PREPARATION OF 6,6-DIMETHYL-3-AZABICYCLO-[3.1.0]- HEXANE COMPOUNDS UTILIZING BISULFITE INTERMEDIATE SCHERING CORPORATION (US) 2010-06-10 US claimed
US-20230287361-A1 ENGINEERED MONOAMINE OXIDASES FOR THE PREPARATION OF STEREOMERICALLY PURE FUSED BICYCLIC PROLINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-09-14 US disclosed
US-8859784-B2 Stereomerically pure fused bicyclic proline compounds useful for preparing hepatitis C protease inhibitors CODEXIS, INC. (US) 2014-10-14 US disclosed
US-20120289709-A1 Substantially Stereomerically Pure Fused Bicyclic Proline Compounds and Processes for Preparing Boceprevir CODEXIS, INC. (US) 2012-11-15 US disclosed
US-8198463-B2 Process for the preparation of 6,6-dimethyl-3-azabicyclo-[3.3.0]-hexane compounds and enantiomeric salts thereof SCHERING CORPORATION (US) 2012-06-12 US disclosed
US-8198463-B2 Process for the preparation of 6,6-dimethyl-3-azabicyclo-[3.3.0]-hexane compounds and enantiomeric salts thereof SCHERING CORPORATION (US) 2012-06-12 US disclosed
US-8178333-B2 Biocatalytic processes for the preparation of substantially stereomerically pure fused bicyclic proline compounds CODEXIS, INC. (US) 2012-05-15 US disclosed
US-8158807-B2 Process for the preparation of 6,6-dimethyl-3-azabicyclo-[3.1.0]-hexane compounds utilizing bisulfite intermediate SCHERING CORPORATION (US) 2012-04-17 US disclosed
US-20100256393-A1 PROCESS FOR THE PREPARATION OF 6,6- DIMETHYL-3-AZABICYCLO-[3.1.0]-HEXANE COMPOUNDS AND ENANTIOMERIC SALTS THEREOF SCHERING CORPORATION (US) 2010-10-07 US disclosed
US-20100145069-A1 PROCESS FOR THE PREPARATION OF 6,6-DIMETHYL-3-AZABICYCLO-[3.1.0]- HEXANE COMPOUNDS UTILIZING BISULFITE INTERMEDIATE SCHERING CORPORATION (US) 2010-06-10 US disclosed
US-20100063300-A1 BIOCATALYTIC PROCESSES FOR THE PREPARATION OF SUBSTANTIALLY STEREOMERICALLY PURE FUSED BICYCLIC PROLINE COMPOUNDS CODEXIS, INC. (US) 2010-03-11 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 (4 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-20100063300-A1 BIOCATALYTIC PROCESSES FOR THE PREPARATION OF SUBSTANTIALLY STEREOMERICALLY PURE FUSED BICYCLIC PROLINE COMPOUNDS PREP, PEPD, COASY CHRNB2 4041/4885CHRNA4 4532/4885CHRNB4 4042/4885
US-20100256393-A1 PROCESS FOR THE PREPARATION OF 6,6- DIMETHYL-3-AZABICYCLO-[3.1.0]-HEXANE COMPOUNDS AND ENANTIOMERIC SALTS THEREOF TMT1A, HDHD5, DLST CHRNB2 3332/4885CHRNA4 2216/4885CHRNB4 3134/4885
US-20120289709-A1 Substantially Stereomerically Pure Fused Bicyclic Proline Compounds and Processes for Preparing Boceprevir PREP, PEPD, ATIC CHRNB2 4826/4885CHRNA4 4776/4885CHRNB4 4769/4885
US-20100145069-A1 PROCESS FOR THE PREPARATION OF 6,6-DIMETHYL-3-AZABICYCLO-[3.1.0]- HEXANE COMPOUNDS UTILIZING BISULFITE INTERMEDIATE DNMT1, TET2, TET3 CHRNB2 2587/4885CHRNA4 1566/4885CHRNB4 2769/4885

“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.