SCHEMBL15768132

SCHEMBL15768132

CN(CCO)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.50
MAPT P10636 1/20 0.48
MTOR P42345 2/20 0.48
HRH3 Q9Y5N1 1/20 0.46
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL10090421 0.83 MTOR (0.58) NPY5RMAPTMTORTSHRMEN1
SCHEMBL14561890 0.81 GAA (0.56) MTORHRH3TSHRMEN1KMT2A
SCHEMBL15768295 0.81 MAPT (0.46) NPY5RMAPTMTORTSHR
SCHEMBL15768278 0.80 MEN1 (0.57) NPY5RMAPTTSHRMEN1KMT2A
SCHEMBL17356369 0.77 MEN1 (0.66) NPY5RMAPTHRH3TSHRMEN1
SCHEMBL10842363 0.76 APEX1 (0.67) MAPTTSHRMEN1KMT2A
SCHEMBL23471014 0.74 HDAC4 (0.48) HDAC1HDAC6
SCHEMBL18767681 0.73 TERT (0.57) HRH3MEN1KMT2AHDAC1HDAC6
SCHEMBL8867740 0.72 TSHR (0.58) NPY5RHRH3TSHR
SCHEMBL22788038 0.72 ROCK2 (0.46) HRH3TSHRMEN1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 EP disclosed
EP-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 EP disclosed
US-9453013-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-27 US disclosed
US-9453013-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-27 US disclosed
US-9453013-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-27 US disclosed
EP-2928890-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2015-10-14 EP disclosed
US-20150139916-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-21 US disclosed
US-8980913-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-17 US disclosed
US-8980913-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-17 US disclosed
US-8980913-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-17 US disclosed
US-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 US disclosed
US-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 US disclosed
WO-2014086927-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 WO disclosed
US-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 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 (2 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-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B NPY5R 704/4885MAPT 2130/4885MTOR 4109/4885
US-20150139916-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B NPY5R 704/4885MAPT 2130/4885MTOR 4109/4885

“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.