SCHEMBL14166340

SCHEMBL14166340

COC(=O)COc1cccc(C(NC(=O)OC(C)(C)C)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
S1PR3 Q99500 1/20 0.42
CHRM3 P20309 3/20 0.42
FAAH O00519 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL14166093 0.91 LMNA (0.47) MEN1KMT2ATSHRCTSSCTSK
SCHEMBL17074741 0.84 MEN1 (0.48) MEN1KMT2ACTSSCTSKTAAR1
SCHEMBL15768180 0.81 CHRM3 (0.63) MEN1KMT2ACHRM3MAPT
SCHEMBL14166011 0.81 CHRM3 (0.63) MEN1KMT2ACHRM3MAPT
SCHEMBL16213673 0.81 CHRM3 (0.45) MEN1KMT2ACTSSCTSKTAAR1
SCHEMBL15783809 0.81 CHRM3 (0.49) KMT2ACTSSCTSKCHRM3
SCHEMBL14166143 0.81 CHRM3 (0.61) TSHRCHRM3
SCHEMBL22268434 0.80 CTSS (0.37) MEN1KMT2ATSHRCTSSCTSK
SCHEMBL14166268 0.80 MEN1 (0.38) MEN1KMT2ATAAR1CHRM3GABRB1
SCHEMBL14820895 0.80 CTSK (0.57) MEN1KMT2ATSHRCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B MEN1 3379/4885KMT2A 3123/4885POLB 1458/4885

“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.