SCHEMBL17259459

SCHEMBL17259459

CCOC(=O)CCCc1ccc(-c2ccccc2)c(NC(=O)OC2CCC(NC(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CHRM3 P20309 15/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.40
ALOX5 P09917 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
SCHEMBL15823055 1.00 EPHX1 (0.45) EPHX1ALDH1A1GAACHRM3TSHR
SCHEMBL17259548 0.92 EPHX1 (0.48) EPHX1ALDH1A1GAACHRM3TSHR
SCHEMBL15823651 0.92 EPHX1 (0.48) EPHX1ALDH1A1GAACHRM3TSHR
SCHEMBL97809 0.84 CHRM3 (0.59) CHRM3
SCHEMBL15824005 0.83 SLC2A1 (0.44) CHRM3ALOX5
SCHEMBL15824007 0.83 SLC2A1 (0.44) CHRM3ALOX5
SCHEMBL15822096 0.83 CHRM3 (0.42) CHRM3
SCHEMBL15822097 0.83 CHRM3 (0.42) CHRM3
SCHEMBL98847 0.82 CHRM3 (0.58) CHRM3
SCHEMBL15823148 0.81 EPHX1 (0.40) EPHX1ALDH1A1GAACHRM3

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 EPHX1 3419/4885ALDH1A1 2719/4885GAA 3174/4885

“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.