SCHEMBL685097

SCHEMBL685097

COC(=O)C1NC[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
SCHEMBL2055320 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2108480 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640084-A Preparation process of (1R, 5S) -6, 6-dimethyl-3-azabicyclo [3.1.0] hexane 浙江司太立制药股份有限公司 2023-08-25 CN disclosed
WO-2023023631-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-02-23 WO disclosed
US-11541034-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2023-01-03 US disclosed
US-11452711-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-09-27 US disclosed
US-11351149-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-06-07 US disclosed
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SCHERING CORPORATION (US) 2011-11-24 US disclosed
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SCHERING CORPORATION (US) 2011-11-24 US disclosed
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same SCHERING CORPORATION 2007-10-11 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 (5 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-11452711-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 CHRNB2 4064/4885CHRNA4 4256/4885CHRNB4 4047/4885
US-11541034-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 CHRNB2 4064/4885CHRNA4 4256/4885CHRNB4 4047/4885
US-11351149-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 CHRNB2 4064/4885CHRNA4 4256/4885CHRNB4 4047/4885
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS PEPD, PREP, ACE CHRNB2 4874/4885CHRNA4 4857/4885CHRNB4 4876/4885
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same CTRL, PEPD, PRCP CHRNB2 4467/4885CHRNA4 4278/4885CHRNB4 4154/4885

“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.