SCHEMBL9906131

SCHEMBL9906131

CC(C)(C)C(=O)OC1CCN(C(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
CHRM3 P20309 7/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL9906129 0.90 ATM (0.46) ATMCHRM3ALDH1A1CYP1A2CYP3A4
SCHEMBL9906133 0.89 ATM (0.43) ATMCHRM3CHRM2
SCHEMBL25987491 0.85 ATM (0.66) ATMCHRM3CHRM2
SCHEMBL24109560 0.84 ATM (0.50) ATMCHRM3CHRM2CYP2D6
SCHEMBL25987495 0.83 CHRM3 (0.44) ATMCHRM3CHRM2CYP3A4CYP2D6
SCHEMBL1365118 0.82 ATM (0.73) ATMCHRM3ALDH1A1CYP1A2CHRM2
SCHEMBL743699 0.82 ATM (0.73) ATMCHRM3ALDH1A1CYP1A2CHRM2
SCHEMBL743700 0.82 ATM (0.73) ATMCHRM3ALDH1A1CYP1A2CHRM2
SCHEMBL8344789 0.80 ALDH1A1 (0.51) CHRM3ALDH1A1CYP1A2CHRM2CYP3A4
SCHEMBL12193385 0.80 ALDH1A1 (0.51) CHRM3ALDH1A1CYP1A2CHRM2CYP3A4

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-20230256106-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF COVAL BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-08-17 US disclosed
US-8785633-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-07-22 US disclosed
US-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-10 US disclosed
US-8338424-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-25 US disclosed
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-08-30 US disclosed
US-8198304-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-06-12 US disclosed
US-20110319448-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-12-29 US disclosed
US-8039489-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-10-18 US disclosed
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-08-18 US disclosed
US-7960385-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-06-14 US disclosed
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2009-03-12 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 (6 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-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 ATM 2759/4885CHRM3 1/4885ALDH1A1 2899/4885
US-20230256106-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF TIE1, TEK, KDR ATM 3380/4885CHRM3 4650/4885ALDH1A1 2673/4885
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 ATM 2759/4885CHRM3 1/4885ALDH1A1 2899/4885
US-20110319448-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 ATM 2759/4885CHRM3 1/4885ALDH1A1 2899/4885
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 ATM 2759/4885CHRM3 1/4885ALDH1A1 2899/4885
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists CHRM3, CHRM5, CHRM1 ATM 2759/4885CHRM3 1/4885ALDH1A1 2899/4885

“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.