SCHEMBL734408

SCHEMBL734408

COc1ccc2ncn(C)c2n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.48
DYRK1A Q13627 1/20 0.47
PDE2A O00408 6/20 0.46
PDE7A Q13946 3/20 0.40
PDE5A O76074 2/20 0.39
PDE11A Q9HCR9 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE7B Q9NP56 1/20 0.39
GRM5 P41594 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
SCHEMBL29663746 1.00 PDE10A (0.48) PDE10ADYRK1APDE2APDE7APDE5A
SCHEMBL7721294 0.77 PDE10A (0.44) PDE10APDE2APDE7APDE5APDE11A
SCHEMBL15819675 0.77 DYRK1A (0.50) DYRK1AGRM5
SCHEMBL31068655 0.76 PDE10A (0.48) PDE10ADYRK1AGRM5
SCHEMBL7914438 0.75 DYRK1A (0.51) PDE10ADYRK1AGRM5
SCHEMBL6770226 0.73 DYRK1A (0.50) DYRK1AGRM5
SCHEMBL30168571 0.73 DYRK1A (0.50) DYRK1AGRM5
SCHEMBL18544265 0.73 CYP1A2 (0.60) PDE10A
SCHEMBL24394781 0.72 HTT (0.43) PDE10ADYRK1APDE2AGRM5
SCHEMBL30545119 0.72 HTT (0.43) PDE10ADYRK1APDE2AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998288-B1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARM INC (US) 2022-08-24 EP disclosed
CN-110418790-B Imidazopyrrolone compounds as p53-MDM2 inhibitors 罗欣药业(上海)有限公司 2022-05-17 CN disclosed
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2020-02-27 US disclosed
US-20180256517-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2018-09-13 US disclosed
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2018-03-29 US disclosed
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-12-15 US disclosed
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-11-03 US disclosed
US-9458082-B2 Substituted phenethylamines with serotoninergic and/or norepinephrinergic activity AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-9422225-B2 Substituted phenethylamines with serotoninergic and/or norepinephrinergic activity AUSPEX PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
EP-2998288-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals, Inc. (US) 2016-03-23 EP disclosed
US-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-20070149622-A1 Deuterated venlafaxine derivatives formed by decyclization with formic acid; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters AUSPEX PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007064697-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
WO-2007062119-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
WO-2007058998-A2 SUBSTITUTED PHENYLPIPERIDINES WITH SEROTONINERGIC ACTIVITY AND ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2007-05-24 WO disclosed
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-05-17 US disclosed
WO-2007041630-A1 DEUTERATED INHIBITORS OF GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2007-04-12 WO disclosed
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-04-12 US disclosed
WO-2006041921-A2 PREPARATION AND USES OF RHODANINE DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 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 (9 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-20180256517-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 PDE10A 1358/4885DYRK1A 3981/4885PDE2A 3144/4885
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 PDE10A 1358/4885DYRK1A 3981/4885PDE2A 3144/4885
US-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 PDE10A 1641/4885DYRK1A 3801/4885PDE2A 2994/4885
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties ATP4A, ATP6V1G1, ATP6V1E1 PDE10A 3178/4885DYRK1A 1300/4885PDE2A 2846/4885
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 PDE10A 1358/4885DYRK1A 3981/4885PDE2A 3144/4885
US-20070149622-A1 Deuterated venlafaxine derivatives formed by decyclization with formic acid; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters SLC6A4, HTR4, OPRK1 PDE10A 1167/4885DYRK1A 2029/4885PDE2A 2788/4885
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 PDE10A 1358/4885DYRK1A 3981/4885PDE2A 3144/4885
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties SLC6A4, HTR4, HTR5A PDE10A 1572/4885DYRK1A 4211/4885PDE2A 2296/4885
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 PDE10A 1358/4885DYRK1A 3981/4885PDE2A 3144/4885

“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.