SCHEMBL733958

SCHEMBL733958

Cc1cnc(-c2cccs2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.54
ALDH1A1 P00352 15/20 0.54
RAB9A P51151 14/20 0.54
NPC1 O15118 12/20 0.54
SMN1; SMN2 Q16637 11/20 0.54
HPGD P15428 9/20 0.54
HSD17B10 Q99714 4/20 0.54
CASP3 P42574 3/20 0.54
SENP7 Q9BQF6 3/20 0.54
MAPT P10636 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 3/20 0.50
NFKB2 Q00653 3/20 0.50

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
SCHEMBL10626253 0.79 ALDH1A1 (0.69) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13187723 0.78 KDM4E (0.54) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL23416100 0.76 RPS6KB2 (0.48) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL3793185 0.75 KDM4E (0.55) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4879871 0.74 ALDH1A1 (0.75) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7058937 0.73 KDM4E (0.67) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14864788 0.73 ALDH1A1 (0.36) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL10715396 0.71 RAB9A (0.76) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13762461 0.71 KDM4E (0.70) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL10716764 0.71 KDM4E (0.68) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1954669-B1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS INC (US) 2015-07-08 EP disclosed
US-20140296339-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2014-10-02 US disclosed
WO-2008008442-A1 PREPARATION AND UTILITY OF HMG-COA REDUCTASE INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-01-17 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 KDM4E 1720/4885ALDH1A1 3075/4885RAB9A 1145/4885
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 KDM4E 1720/4885ALDH1A1 3075/4885RAB9A 1145/4885
US-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 KDM4E 2596/4885ALDH1A1 1833/4885RAB9A 1475/4885
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties ATP4A, ATP6V1G1, ATP6V1E1 KDM4E 3335/4885ALDH1A1 2327/4885RAB9A 784/4885
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 KDM4E 1720/4885ALDH1A1 3075/4885RAB9A 1145/4885
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 KDM4E 2545/4885ALDH1A1 1537/4885RAB9A 1356/4885
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 KDM4E 1720/4885ALDH1A1 3075/4885RAB9A 1145/4885
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties SLC6A4, HTR4, HTR5A KDM4E 2594/4885ALDH1A1 2545/4885RAB9A 1370/4885
US-20140296339-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 KDM4E 1720/4885ALDH1A1 3075/4885RAB9A 1145/4885
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 KDM4E 1720/4885ALDH1A1 3075/4885RAB9A 1145/4885

“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.