SCHEMBL15329372

SCHEMBL15329372

O=C(N1CCCCC1)C(O)(c1cccs1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 17/20 0.55
▸ CHRM2 P08172 7/20 0.55
▸ CHRM1 P11229 7/20 0.55
▸ CHRM4 P08173 1/20 0.51
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL15127538 0.88 CHRM3 (0.52) CHRM3CHRM2CHRM1CHRM4NPC1
SCHEMBL3634718 0.85 CHRM3 (0.49) CHRM3CHRM2CHRM1CHRM4NPC1
SCHEMBL3617204 0.82 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4NPC1
SCHEMBL5334364 0.82 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4NPC1
SCHEMBL1086681 0.81 KEAP1 (0.57) CHRM3CHRM2CHRM1CHRM4GAA
SCHEMBL4968719 0.81 KEAP1 (0.57) CHRM3CHRM2CHRM1CHRM4GAA
SCHEMBL3101388 0.81 KEAP1 (0.57) CHRM3CHRM2CHRM1CHRM4GAA
SCHEMBL1234072 0.81 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRM4GAA
SCHEMBL2795334 0.81 KEAP1 (0.57) CHRM3CHRM2CHRM1CHRM4GAA
SCHEMBL14408507 0.80 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRM4GAA

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 4 patents. 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-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-20130281489-A1 QUATERNARY AMMONIUM COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-10-24 — — 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 4/4885CHRM2 1/4885CHRM1 3/4885
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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