SCHEMBL3635381

SCHEMBL3635381

CC(C)CC(O)(C(=O)N1CCC(N(C)C)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 2/20 0.46
▸ CHRM3 P20309 9/20 0.43
▸ CHRM2 P08172 6/20 0.43
▸ CHRM1 P11229 6/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CCR5 P51681 1/20 0.41
▸ CDYL Q9Y232 1/20 0.41
▸ CDY1; CDY1B Q9Y6F8 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL15127544 0.86 ACHE (0.49) CHRM3CHRM2CHRM1KMT2ALMNA
SCHEMBL27915228 0.80 SMN1; SMN2 (0.41) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL9967818 0.76 CHRM3 (0.45) CHRM3CHRM2CHRM1MEN1KMT2A
SCHEMBL4884492 0.76 CHRM3 (0.70) CHRM3CHRM2CHRM1
SCHEMBL3669017 0.76 CHRM3 (0.70) CHRM3CHRM2CHRM1
SCHEMBL3652874 0.70 CYP2D6 (0.48) CHRM3CHRM2CHRM1KMT2AKDM4E
SCHEMBL8917126 0.69 L3MBTL3 (0.84) L3MBTL3MEN1KMT2ACCR5KDM4E
SCHEMBL3668368 0.67 L3MBTL3 (0.59) L3MBTL3MEN1KMT2ACCR5CDYL
SCHEMBL3635391 0.67 L3MBTL3 (0.48) L3MBTL3CHRM3CHRM2CHRM1CDYL
SCHEMBL2374558 0.67 OPRD1 (0.69) —

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 29 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-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
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 L3MBTL3 3520/4885CHRM3 4/4885CHRM2 1/4885
US-20120232053-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 L3MBTL3 3520/4885CHRM3 4/4885CHRM2 1/4885
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma CHRM2, CHRM5, CHRM3 L3MBTL3 2817/4885CHRM3 3/4885CHRM2 1/4885
US-20140329857-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 L3MBTL3 3520/4885CHRM3 4/4885CHRM2 1/4885

“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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