SCHEMBL4412485

SCHEMBL4412485

O=C(OC1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 1.00
CHRM2 P08172 11/20 1.00
CHRM1 P11229 11/20 1.00
CHRM4 P08173 1/20 0.65
CHRM5 P08912 1/20 0.65

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
SCHEMBL72595 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL18130708 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL16692242 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL73103 0.92 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL73290 0.92 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL7612587 0.92 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL72753 0.88 CHRM3 (0.78) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1233262 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1233260 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1234306 0.85 CHRM3 (0.73) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016162878-A1 AN ADVANTAGEOUS PROCESS FOR PREPARING 1-AZONIABICYCLO[2.2.2]OCTANE,3-[(HYDROXYDI-2-THIENYLACETYL)OXY]-1-(3¬PHENOXYPROPYL)-, BROMIDE, (3R)- AND ITS NOVEL CRYSTALLINE FORM-I HARMAN FINOCHEM LIMITED (IN) 2016-10-13 WO claimed
WO-2014140318-A1 IMPROVED PROCESS FOR ACYL TRANSFER REACTIONS K.H.S. PHARMA HOLDING GMBH (DE) 2014-09-18 WO claimed
US-20200405700-A1 INHALABLE FORMULATION OF A SOLUTION CONTAINING FORMOTEROL FUMARATE AND ACLIDINIUM BROMIDE Huang, Cai Gu (US) 2020-12-31 US disclosed
WO-2016162878-A1 AN ADVANTAGEOUS PROCESS FOR PREPARING 1-AZONIABICYCLO[2.2.2]OCTANE,3-[(HYDROXYDI-2-THIENYLACETYL)OXY]-1-(3¬PHENOXYPROPYL)-, BROMIDE, (3R)- AND ITS NOVEL CRYSTALLINE FORM-I HARMAN FINOCHEM LIMITED (IN) 2016-10-13 WO disclosed
WO-2014140318-A1 IMPROVED PROCESS FOR ACYL TRANSFER REACTIONS K.H.S. PHARMA HOLDING GMBH (DE) 2014-09-18 WO disclosed
US-20090326004-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-31 US disclosed
EP-2130830-A1 Muscarinic receptor antagonists Ranbaxy Laboratories Limited (IN) 2009-12-09 EP 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-20200405700-A1 INHALABLE FORMULATION OF A SOLUTION CONTAINING FORMOTEROL FUMARATE AND ACLIDINIUM BROMIDE PEF1, CFTR, ACLY CHRM3 13/4885CHRM2 34/4885CHRM1 139/4885
US-20090326004-A1 MUSCARINIC RECEPTOR ANTAGONISTS LTB4R2, LTB4R, LTC4S CHRM3 7/4885CHRM2 11/4885CHRM1 19/4885

“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.