SCHEMBL9909524

SCHEMBL9909524

Cc1ccc(O)c2c1OCC(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.58
DRD3 P35462 6/20 0.58
DRD4 P21917 5/20 0.58
HTR2A P28223 2/20 0.53
ADRB1 P08588 13/20 0.52
ADRB2 P07550 9/20 0.50
DRD1 P21728 1/20 0.48

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
SCHEMBL11912374 0.86 DRD2 (0.42) DRD2DRD3DRD4HTR2AADRB1
SCHEMBL12119317 0.81 DRD2 (0.56) DRD2DRD3DRD4HTR2AADRB1
SCHEMBL12115577 0.80 DRD2 (0.58) DRD2DRD3DRD4HTR2AADRB1
SCHEMBL10215347 0.80 ADRB1 (0.65) DRD2DRD3DRD4ADRB1ADRB2
SCHEMBL13437595 0.77 DRD2 (0.56) DRD2DRD3DRD4HTR2AADRB1
SCHEMBL1246145 0.75 DRD2 (0.51) DRD2DRD3DRD4HTR2AADRB1
SCHEMBL14643032 0.75 DRD2 (0.54) DRD2DRD3DRD4HTR2AADRB1
SCHEMBL14643034 0.75 DRD2 (0.54) DRD2DRD3DRD4HTR2AADRB1
SCHEMBL1246294 0.74 DRD2 (0.59) DRD2DRD3DRD4HTR2AADRB1
SCHEMBL19043579 0.74 ADRB1 (0.62) DRD2DRD3DRD4ADRB1ADRB2

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
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
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
WO-2017063563-A1 OCTAHYDROCYCLOPENTA[C]PYRROLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE 四川海思科制药有限公司 2017-04-20 WO disclosed
WO-2017063564-A1 OCTAHYDROCYCLOPENTA[C]PYRROLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE 四川海思科制药有限公司 2017-04-20 WO disclosed
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
WO-2017012489-A1 BENZO RING DERIVATIVE WITH Β2 RECEPTOR AGONIST AND M3 RECEPTOR ANTAGONIST ACTIVITIES AND USE THEREOF IN MEDICINE 四川海思科制药有限公司 2017-01-26 WO disclosed
US-20160031838-A1 SMYD2 INHIBITORS ABBVIE INC. 2016-02-04 US disclosed
US-9040559-B2 BETA2-adrenoceptor agonists NOVARTIS AG (CH) 2015-05-26 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 (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-20160031838-A1 SMYD2 INHIBITORS SMYD2, SMYD3, NSD1 DRD2 1794/4885DRD3 1951/4885DRD4 2632/4885
US-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 DRD2 254/4885DRD3 467/4885DRD4 867/4885

“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.