SCHEMBL9906129

SCHEMBL9906129

CC(C)(C)C(=O)OC1CCCN(C(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM3 P20309 4/20 0.38
CYP19A1 P11511 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL9906131 0.90 ATM (0.49) ATMCYP2D6CYP3A4CHRM3ALDH1A1
SCHEMBL25987495 0.87 CHRM3 (0.44) ATMSMN1; SMN2CYP2D6CYP3A4CHRM3
SCHEMBL2370052 0.83 ATM (0.69) ATMSMN1; SMN2CYP2D6CYP3A4CHRM3
SCHEMBL2370044 0.83 ATM (0.69) ATMSMN1; SMN2CYP2D6CYP3A4CHRM3
SCHEMBL2434662 0.83 ATM (0.69) ATMSMN1; SMN2CYP2D6CYP3A4CHRM3
SCHEMBL25987491 0.82 ATM (0.66) ATMCHRM3
SCHEMBL9906133 0.79 ATM (0.43) ATMCHRM3CYP19A1
SCHEMBL18369775 0.77 SMN1; SMN2 (0.43) ATMSMN1; SMN2CYP2D6CYP3A4HTT
SCHEMBL26220807 0.76 SMN1; SMN2 (0.56) ATMSMN1; SMN2CYP2D6CYP3A4POLB
SCHEMBL13073268 0.76 CYP19A1 (0.46) SMN1; SMN2CYP2D6CHRM3CYP19A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 ATM 2759/4885SMN1; SMN2 3007/4885CYP2D6 2061/4885
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 ATM 2759/4885SMN1; SMN2 3007/4885CYP2D6 2061/4885
US-20110319448-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 ATM 2759/4885SMN1; SMN2 3007/4885CYP2D6 2061/4885
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 ATM 2759/4885SMN1; SMN2 3007/4885CYP2D6 2061/4885
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists CHRM3, CHRM5, CHRM1 ATM 2759/4885SMN1; SMN2 3007/4885CYP2D6 2061/4885

“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.