SCHEMBL737293

SCHEMBL737293

CCCCCc1cncnc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.43
PI4K2B Q8TCG2 2/20 0.43
PI4K2A Q9BTU6 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
TLR8 Q9NR97 5/20 0.41
TKT P29401 1/20 0.41
TLR7 Q9NYK1 2/20 0.40
ADK P55263 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRP O00591 1/20 0.37

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
SCHEMBL12844554 0.86 TKT (0.44) PI4KAPI4K2BPI4K2API4KBTKT
SCHEMBL1555530 0.81 TDP1 (0.39) TLR8KDM4EMEN1USP2ALDH1A1
SCHEMBL23718420 0.79 TDP1 (0.38) TLR8KDM4EMEN1USP2ALDH1A1
SCHEMBL24271258 0.79 TDP1 (0.35) PI4KAPI4K2BPI4K2API4KBTLR8
SCHEMBL12877696 0.78
SCHEMBL11495576 0.77 XDH (0.36) PI4KAPI4K2BPI4K2API4KBTLR8
Thiourea SCHEMBL27806269 0.76 RAB9A (0.34) TLR8KDM4EMEN1USP2ALDH1A1
SCHEMBL5132973 0.76 TLR8 (0.51) PI4KAPI4K2BPI4K2API4KBTLR8
SCHEMBL30988517 0.75 TKT (0.55) TKTKDM4EMEN1KMT2A
SCHEMBL27624960 0.75 ALDH1A1 (0.41) TLR8TLR7KDM4EMEN1USP2

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 23 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
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US disclosed
US-20090312435-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC (US) 2009-12-17 US disclosed
US-20090023765-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-22 US disclosed
US-20090018207-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-15 US disclosed
US-7456317-B2 Deuterated venlafaxine derivatives; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters; for intravenous administration; tablet/capsule form AUSPEX PHARMACEUTICALS (US) 2008-11-25 US disclosed
EP-1954669-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals Inc. (US) 2008-08-13 EP 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

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

For each of this compound's patents that has machine-readable text (11 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-20090312435-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 PI4KA 1184/4885PI4K2B 2055/4885PI4K2A 2195/4885
US-20180256517-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 PI4KA 1184/4885PI4K2B 2055/4885PI4K2A 2195/4885
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 PI4KA 1184/4885PI4K2B 2055/4885PI4K2A 2195/4885
US-20090018207-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 PI4KA 1184/4885PI4K2B 2055/4885PI4K2A 2195/4885
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 PI4KA 1184/4885PI4K2B 2055/4885PI4K2A 2195/4885
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 PI4KA 1434/4885PI4K2B 2456/4885PI4K2A 2332/4885
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 PI4KA 1184/4885PI4K2B 2055/4885PI4K2A 2195/4885
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 PI4KA 3140/4885PI4K2B 3106/4885PI4K2A 3217/4885
US-20090023765-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 PI4KA 1184/4885PI4K2B 2055/4885PI4K2A 2195/4885
US-20140296339-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 PI4KA 1184/4885PI4K2B 2055/4885PI4K2A 2195/4885
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 PI4KA 1184/4885PI4K2B 2055/4885PI4K2A 2195/4885

“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.