SCHEMBL9909522

SCHEMBL9909522

Cc1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD4 P21917 3/20 0.53
DRD3 P35462 3/20 0.53
ADRB2 P07550 14/20 0.50
ADRB1 P08588 7/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL9095612 0.85 DRD2 (0.45) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL2611661 0.84 KDM4E (0.47) KDM4ECYP1A2CYP2C19GAASMN1; SMN2
SCHEMBL11379691 0.84 DRD2 (0.56) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL12119031 0.78 ADRB2 (0.59) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL13313354 0.77 DRD2 (0.50) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL2796726 0.77 DRD2 (0.50) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL29153234 0.77 MAPT (0.59) KDM4ELMNAGAASMN1; SMN2ALDH1A1
SCHEMBL12559617 0.77 CA12 (0.47) DRD2DRD4DRD3KDM4ECYP1A2
SCHEMBL30437983 0.77 CA12 (0.47) KDM4ELMNACYP2C19GAASMN1; SMN2
SCHEMBL10215350 0.77 ADRB2 (0.65) DRD2ADRB2ADRB1KDM4EMEN1

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2019-02-05 US disclosed
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-26 US disclosed
WO-2018059537-A1 DIAZASPIRO[5.5]UNDECANE DERIVATIVE AND USE THEREOF 四川海思科制药有限公司 2018-04-05 WO disclosed
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 US disclosed
WO-2017125060-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION 四川海思科制药有限公司 2017-07-27 WO disclosed
WO-2017114377-A1 BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2017-07-06 WO disclosed
WO-2017107877-A1 BIPHENYL DERIVATIVE AND PREPARATION METHOD AND MEDICAL USE THEREOF 四川海思科制药有限公司 2017-06-29 WO disclosed
US-9662323-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-30 US disclosed
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 US disclosed
US-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US disclosed
US-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US disclosed
EP-1556342-B1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-03-26 EP disclosed
US-7294650-B2 Benzothiophen and thiochrone containing phenethanolamine derivatives for the treatment of respiratory disorders GLAXO GROUP LIMITED (GB) 2007-11-13 US disclosed
US-7294650-B2 Benzothiophen and thiochrone containing phenethanolamine derivatives for the treatment of respiratory disorders GLAXO GROUP LIMITED (GB) 2007-11-13 US disclosed
EP-1554264-B1 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2007-08-08 EP disclosed
US-20070172385-A1 Benzothiophen and thiochrone containing phenethanolamine derivatives for the treatment of respiratory disorders GLAXO GROUP LIMITED (GB) 2007-07-26 US disclosed
US-20070172385-A1 Benzothiophen and thiochrone containing phenethanolamine derivatives for the treatment of respiratory disorders GLAXO GROUP LIMITED (GB) 2007-07-26 US disclosed
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 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 (5 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-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B DRD2 373/4885DRD4 1506/4885DRD3 1023/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B DRD2 388/4885DRD4 1613/4885DRD3 1138/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B DRD2 373/4885DRD4 1506/4885DRD3 1023/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B DRD2 388/4885DRD4 1613/4885DRD3 1138/4885
US-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 DRD2 254/4885DRD4 867/4885DRD3 467/4885

“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.