SCHEMBL732744

SCHEMBL732744

CCc1nc(C)cc(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
HTT P42858 2/20 0.69
MAPK1 P28482 2/20 0.50
ADORA1 P30542 1/20 0.50
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
GPR84 Q9NQS5 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1892022 0.86 HTT (0.67) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL29028572 0.82 HTT (0.67) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL30741340 0.82 HTT (0.67) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL3989050 0.82 SMN1; SMN2 (1.00) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL1888960 0.81 GPR84 (0.61) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL27427374 0.80 HTT (0.59) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL5807787 0.80 GPR84 (0.69) SMN1; SMN2HTTGPR84KMT2A
SCHEMBL27845668 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HTTGPR84POLBPKM
SCHEMBL14540108 0.79 HTT (0.62) SMN1; SMN2HTTMAPK1GAANPC1
SCHEMBL18614441 0.79 SMN1; SMN2 (0.62) SMN1; SMN2HTTMAPK1GAANPC1

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 74 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
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-20020123502-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR, INC. 2002-09-05 US disclosed
US-6372750-B2 COMPOUNDS SUCH AS 5-(4-(2-(2,4-DIMETHYL-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL)ETHOXY)PHENYL METHYL)THIZOLIDINE-2,4-DIONE MADE BY CYCLIZATION, CHEMICAL REDUCTION, HYDROLYSIS, AZOLIDINEDIONE DERIVATIVES DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-04-16 US disclosed
US-6310069-B1 INTERMEDIATES TO AZOLIDINEDIONE ANTIDIABETIC COMPOUNDS SUCH AS 5-(4-(2-(2,4-DIMETHYL-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL)ETHOXY)PHENYL METHYL)THIAZOLIDINE-2,4-DIONES DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-10-30 US disclosed
US-20010031759-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compounds containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S RESEARCH FOUNDATION & REDDY- CHEMINOR, INC. 2001-10-18 US disclosed
EP-1073643-A2 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-02-07 EP disclosed
CN-1280571-A New heterocyclic compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them REDDY CHEMINOR INC (IN) 2001-01-17 CN disclosed
US-6114526-A REACTING AN AMINO DERIVATIVE WITH A HETEROCYCLIC DIONE COMPOUND TO FORM AN ANTIDIABETIC AGENT DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-09-05 US disclosed
US-5985884-A TREATMENT AND/OR PROPHYLAXIS OF DISEASES OR CONDITIONS IN WHICH INSULIN RESISTANCE IS THE UNDERLYING PATHOPHYSIOLOGICAL MECHANISM SUCH AS TYPE II DIABETES, IMPAIRED GLUCOSE TOLERANCE, DYSLIPIDAEMIA, HYPERTENSION, CORONARY HEART DISEASE DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-11-16 US disclosed
US-5885997-A Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-03-23 US disclosed
WO-1999008501-A2 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-25 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 (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 SMN1; SMN2 385/4885HTT 1000/4885MAPK1 2390/4885
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 SMN1; SMN2 385/4885HTT 1000/4885MAPK1 2390/4885
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 SMN1; SMN2 385/4885HTT 1000/4885MAPK1 2390/4885
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 SMN1; SMN2 385/4885HTT 1000/4885MAPK1 2390/4885
US-20020123502-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases IAPP, GPR119, CYP11B1 SMN1; SMN2 2760/4885HTT 695/4885MAPK1 1921/4885
US-20010031759-A1 Novel heterocyclic compounds, process for their preparation and pharmaceutical compounds containing them and their use in the treatment of diabetes and related diseases IAPP, GPR119, CYP11B1 SMN1; SMN2 2730/4885HTT 586/4885MAPK1 1865/4885
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 SMN1; SMN2 385/4885HTT 1000/4885MAPK1 2390/4885

“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.