SCHEMBL17259574

SCHEMBL17259574

COc1cc(NC(=O)OCCCc2ccc(-c3ccccc3)c(N(C(=O)O)[C@H]3CN4CCC3CC4)c2)c(Cl)cc1CNC[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.60
CHRM3 P20309 20/20 0.60
CHRM2 P08172 1/20 0.60

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
SCHEMBL17259572 1.00 ADRB2 (0.60) ADRB2CHRM3CHRM2
SCHEMBL17259575 1.00 ADRB2 (0.60) ADRB2CHRM3CHRM2
Fluoride SCHEMBL17259934 0.99 ADRB2 (0.59) ADRB2CHRM3CHRM2
Fluoride SCHEMBL17259931 0.99 ADRB2 (0.59) ADRB2CHRM3CHRM2
Fluoride SCHEMBL17259937 0.99 ADRB2 (0.59) ADRB2CHRM3CHRM2
Fluoride SCHEMBL21314066 0.99 ADRB2 (0.59) ADRB2CHRM3CHRM2
SCHEMBL17259752 0.92 ADRB2 (0.50) ADRB2CHRM3CHRM2
SCHEMBL17259759 0.92 ADRB2 (0.50) ADRB2CHRM3CHRM2
SCHEMBL17259755 0.92 ADRB2 (0.50) ADRB2CHRM3CHRM2
SCHEMBL17260067 0.86 ADRB2 (0.59) ADRB2CHRM3CHRM2

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-9518050-B2 Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL, S.A. (ES) 2016-12-13 US claimed
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 claimed
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 ADRB2 3/4885CHRM3 1/4885CHRM2 2/4885

“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.