SCHEMBL714524

SCHEMBL714524

CCCC/C=[C]\c1c(N)ccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.37
GAA P10253 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 6/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
KEAP1 Q14145 1/20 0.34
KDM4E B2RXH2 4/20 0.34
NPC1 O15118 4/20 0.34
HTT P42858 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GLA P06280 1/20 0.34
RCE1 Q9Y256 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL1610913 0.83 MAPT (0.38) GAATDP1L3MBTL1ALDH1A1NPC1
SCHEMBL1612352 0.78 MAPT (0.40) GAATDP1L3MBTL1ALDH1A1HPGD
SCHEMBL1611102 0.77 MAPT (0.42) GAATDP1L3MBTL1ALDH1A1HPGD
SCHEMBL1609445 0.75 HTR1B (0.37) GAATDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL27293170 0.75 HTR1B (0.37) GAATDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL1609255 0.73 NR1I2 (0.39) TLR8GAAL3MBTL1ALDH1A1HPGD
SCHEMBL1610676 0.71 CNR1 (0.38) GAATDP1L3MBTL1ALDH1A1HPGD
SCHEMBL1612559 0.70 CHAT (0.40) GAATDP1L3MBTL1ALDH1A1HPGD
SCHEMBL2552535 0.70 GAA (0.44) TLR8GAATDP1L3MBTL1ALDH1A1
SCHEMBL1610827 0.67 TLR8 (0.30) TLR8CYP1A2CYP2C19CYP2A6

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 83 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-2005044201-A2 PH SENSITIVE PRODRUGS OF 2,6-DIISOPROPYLPHENOL AUSPEX PHARMACEUTICALS, INC. (US) 2005-05-19 WO disclosed
WO-2005011573-A2 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO disclosed
US-20020183518-A1 Modulators of proteins with phosphotyrosine recognition units ONTOGEN CORPORATION 2002-12-05 US disclosed
US-6388076-B1 ANTIPROLIFERATIVE AGENTS; SKIN DISORDERS; OSTEOPOROSIS ONTOGEN CORPORATION 2002-05-14 US disclosed
US-6150532-A OXAZOLE COMPOUNDS WITH UNSATURATED ACID OR ESTER GROUPS AS ENZYME INHIBITORS MJALLI ADNAN (US) 2000-11-21 US disclosed
US-5965558-A 2 OR 2,3-DI((2-CARBOXYETHYLENEARYL)QUINOXALINES; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; UNITS INCLUDING PROTEIN TYROSINE PHOSPHATASES AND PROTEINS WITH SRC-HOMOLOGY-2 DOMAINS; ANTIDIABETICS,-ALLERGENS,-COAGULANTS ONTOGEN CORPORATION (US) 1999-10-12 US disclosed
EP-0946518-A1 MODULATORS OF PROTEINS WITH PHOSPHOTYROSINE RECOGNITION UNITS ONTOGEN CORPORATION (US) 1999-10-06 EP disclosed
WO-1998027065-A1 MODULATORS OF PROTEINS WITH PHOSPHOTYROSINE RECOGNITION UNITS ONTOGEN CORPORATION (US) 1998-06-25 WO disclosed
US-5753687-A ACRYLATED ARYLIMIDAZOLE DERIVATIVES ONTOGEN CORPORATION (US) 1998-05-19 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 (7 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 TLR8 3846/4885GAA 1478/4885TDP1 1109/4885
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 TLR8 3846/4885GAA 1478/4885TDP1 1109/4885
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 TLR8 3846/4885GAA 1478/4885TDP1 1109/4885
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 TLR8 3846/4885GAA 1478/4885TDP1 1109/4885
US-20020183518-A1 Modulators of proteins with phosphotyrosine recognition units PTPRC, PTPN4, PTPN1 TLR8 1921/4885GAA 2934/4885TDP1 889/4885
US-20140296339-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 TLR8 3846/4885GAA 1478/4885TDP1 1109/4885
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 TLR8 3846/4885GAA 1478/4885TDP1 1109/4885

“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.