SCHEMBL17259761

SCHEMBL17259761

COc1cc(NC(=O)OCCCc2ccc(-c3ccccc3)c(N(C(=O)O)[C@H]3CN4CCC3CC4)c2)c(Cl)cc1CO

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.52
CHRM5 P08912 17/20 0.52
CHRM1 P11229 17/20 0.52
CHRM2 P08172 4/20 0.50

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
SCHEMBL17259763 1.00 CHRM3 (0.52) CHRM3CHRM5CHRM1CHRM2
SCHEMBL17260064 0.91 CHRM3 (0.51) CHRM3CHRM5CHRM1CHRM2
SCHEMBL17260068 0.91 CHRM3 (0.51) CHRM3CHRM5CHRM1CHRM2
SCHEMBL17259847 0.91 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2
SCHEMBL17259845 0.91 CHRM3 (0.46) CHRM3CHRM5CHRM1CHRM2
SCHEMBL17259575 0.83 ADRB2 (0.60) CHRM3CHRM2
SCHEMBL17259574 0.83 ADRB2 (0.60) CHRM3CHRM2
SCHEMBL17259572 0.83 ADRB2 (0.60) CHRM3CHRM2
Fluoride SCHEMBL21314066 0.82 ADRB2 (0.59) CHRM3CHRM2
Fluoride SCHEMBL17259937 0.82 ADRB2 (0.59) CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934594-B1 CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . ALMIRALL SA (ES) 2019-09-04 EP disclosed
US-9518050-B2 Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL, S.A. (ES) 2016-12-13 US disclosed
US-20150329535-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY ALMIRALL, S.A. (ES) 2015-11-19 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 (1 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-20150329535-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY CHRM3, CHRM2, ADRB2 CHRM3 1/4885CHRM5 9/4885CHRM1 4/4885

“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.