SCHEMBL3635629

SCHEMBL3635629

Cc1ccc(C(O)(C(=O)N2CCC(N(C)C)CC2)C2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 17/20 0.55
▸ CHRM2 P08172 3/20 0.55
▸ CHRM1 P11229 3/20 0.55
▸ PDK2 Q15119 2/20 0.49
▸ L3MBTL3 Q96JM7 1/20 0.46

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
SCHEMBL4884492 0.89 CHRM3 (0.70) CHRM3CHRM2CHRM1
SCHEMBL3669017 0.89 CHRM3 (0.70) CHRM3CHRM2CHRM1
SCHEMBL15015242 0.82 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL3634718 0.77 CHRM3 (0.49) CHRM3CHRM2CHRM1PDK2L3MBTL3
SCHEMBL15015184 0.77 CHRM3 (0.64) CHRM3CHRM2CHRM1
SCHEMBL3618408 0.76 CHRM3 (0.53) CHRM3CHRM2CHRM1
SCHEMBL15015219 0.75 CHRM3 (0.63) CHRM3CHRM2CHRM1
SCHEMBL15015222 0.74 CHRM3 (0.76) CHRM3CHRM2CHRM1
SCHEMBL15127537 0.74 CHRM3 (0.76) CHRM3CHRM2CHRM1
SCHEMBL4632283 0.73 KEAP1 (0.72) CHRM3CHRM2CHRM1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216971-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 — — US disclosed
US-9216971-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 — — US disclosed
US-9216971-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 — — US disclosed
US-20140329857-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-11-06 — — US disclosed
US-20140329857-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-11-06 — — US disclosed
US-20140329857-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-11-06 — — US disclosed
US-8815907-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-26 — — US disclosed
US-8815907-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-26 — — US disclosed
US-8815907-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-26 — — US disclosed
US-20130281489-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-10-24 — — US disclosed
US-20120232053-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-09-13 — — US disclosed
US-20120232053-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-09-13 — — US disclosed
US-8202891-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-06-19 — — US disclosed
US-8202891-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-06-19 — — US disclosed
US-8202891-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-06-19 — — US disclosed
EP-2146957-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2010-01-27 — — EP disclosed
WO-2008133900-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2008-11-06 — — WO disclosed
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma THERAVANCE, INC. 2008-10-30 — — US disclosed
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma THERAVANCE, INC. 2008-10-30 — — US disclosed
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma THERAVANCE, INC. 2008-10-30 — — 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-20130281489-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 CHRM3 4/4885CHRM2 1/4885CHRM1 3/4885
US-20120232053-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 CHRM3 4/4885CHRM2 1/4885CHRM1 3/4885
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma CHRM2, CHRM5, CHRM3 CHRM3 3/4885CHRM2 1/4885CHRM1 4/4885
US-20140329857-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 CHRM3 4/4885CHRM2 1/4885CHRM1 3/4885

“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.

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