SCHEMBL4883236

SCHEMBL4883236

C#CC(O)(C(=O)N1CCC([N+](C)(C)CCc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 10/20 0.42
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CHRM1 P11229 5/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36

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
SCHEMBL4893920 0.83 CHRM3 (0.58) CHRM3CHRM1CHRM2
SCHEMBL4891590 0.81 CHRM3 (0.65) CHRM3CHRM1CHRM2
SCHEMBL4887549 0.81 CHRM3 (0.65) CHRM3CHRM1CHRM2
SCHEMBL9967818 0.81 CHRM3 (0.45) CHRM3POLBMEN1KMT2ACHRM1
SCHEMBL4895373 0.80 CHRM3 (0.41) CHRM3POLBCHRM1CHRM2CHRM4
SCHEMBL4884518 0.77 CHRM3 (0.47) CHRM3CHRM1CHRM2
SCHEMBL4897583 0.76 CHRM3 (0.58) CHRM3CHRM1CHRM2
SCHEMBL4916264 0.76 CHRM3 (0.58) CHRM3CHRM1CHRM2
SCHEMBL4896458 0.75 CHRM3 (0.55) CHRM3CHRM1CHRM2
SCHEMBL4892149 0.75 CHRM3 (0.60) CHRM3CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2146957-B1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2013-06-12 — — EP disclosed
US-8202891-B2 Quaternary ammonium compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-06-19 — — 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 (2 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 4/4885POLB 3927/4885MEN1 1581/4885
US-20080269190-A1 Chronic obstructive pulmonary disease; asthma CHRM2, CHRM5, CHRM3 CHRM3 3/4885POLB 3920/4885MEN1 2693/4885

“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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