SCHEMBL15824005

SCHEMBL15824005

CCOC(=O)CCCc1ccc(-c2ccccc2)c(NC(=O)O[C@H]2CC[C@H](N(C)CCCc3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.44
ALOX5 P09917 1/20 0.43
CHRM3 P20309 14/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CHRM2 P08172 1/20 0.38

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
SCHEMBL15824007 1.00 SLC2A1 (0.44) SLC2A1ALOX5CHRM3L3MBTL1CHRM2
SCHEMBL15822103 0.94 CHRM3 (0.47) SLC2A1ALOX5CHRM3
SCHEMBL15822105 0.94 CHRM3 (0.47) SLC2A1ALOX5CHRM3
SCHEMBL15823066 0.92 SLC2A1 (0.46) SLC2A1CHRM3CHRM2
SCHEMBL15823065 0.92 SLC2A1 (0.46) SLC2A1CHRM3CHRM2
SCHEMBL15823178 0.85 CHRM3 (0.49) SLC2A1CHRM3
Lithium Ion SCHEMBL15823177 0.84 CHRM3 (0.47) SLC2A1CHRM3
SCHEMBL17259459 0.83 EPHX1 (0.45) ALOX5CHRM3
SCHEMBL15823055 0.83 EPHX1 (0.45) ALOX5CHRM3
SCHEMBL97809 0.78 CHRM3 (0.59) CHRM3

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
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
EP-2934594-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY Almirall, S.A. (ES) 2015-10-28 EP disclosed
WO-2014095920-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY ALMIRALL, S.A. (ES) 2014-06-26 WO 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 SLC2A1 4130/4885ALOX5 3773/4885CHRM3 1/4885

“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.