SCHEMBL574718

SCHEMBL574718

CCN1CCN(CCCc2ccccc2)CC1OC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.59
SLC6A4 P31645 5/20 0.59
SLC6A2 P23975 4/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP2D6 P10635 2/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL574717 0.78 SLC6A4 (0.60) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1
Vanoxerine SCHEMBL246574 0.75 SLC6A4 (1.00) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1
Vanoxerine SCHEMBL15541249 0.74 SLC6A4 (1.00) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1
Vanoxerine SCHEMBL725103 0.74 SLC6A4 (1.00) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1
SCHEMBL10000765 0.74 SLC6A4 (0.97) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1
Vanoxerine SCHEMBL3014060 0.73 SLC6A4 (0.95) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1
SCHEMBL8642038 0.73 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2MEN1LMNA
SCHEMBL24221220 0.73 SLC6A4 (0.88) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1
SCHEMBL726958 0.72 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1
SCHEMBL1505912 0.71 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177874-A1 Methods of Treating Metabolic Syndrome Using Dopamine Receptor Agonists VEROSCIENCE, LLC 2018-06-28 US disclosed
US-20170209539-A1 Therapeutic Treatment For Metabolic Syndrome, Type 2 Diabetes, Obesity, Or Prediabetes VEROSCIENCE LLC (US) 2017-07-27 US disclosed
US-9655865-B2 Therapeutic treatment for metabolic syndrome, type 2 diabetes, obesity, or prediabetes VEROSCIENCE, LLC (US) 2017-05-23 US disclosed
EP-3090745-A1 METHODS OF TREATING VASCULAR DISEASES USING BROMOCRIPTINE VeroScience LLC (US) 2016-11-09 EP disclosed
US-20140051685-A1 THERAPEUTIC TREATMENT FOR METABOLIC SYNDROME, TYPE 2 DIABETES, OBESITY OR PREDIABETES VEROSCIENCE, LLC 2014-02-20 US disclosed
US-20130274246-A1 Therapeutic Treatment for Metabolic Syndrome, Type 2 Diabetes, Obesity, or Prediabetes VEROSCIENCE, LLC 2013-10-17 US disclosed
EP-2600873-A1 PHARMACEUTICAL COMPOSITIONS FOR TERMINATING ACUTE EPISODES OF CARDIAC ARRHYTHMIA, RESTORING SINUS RHYTHM, PREVENTING RECURRENCE OF CARDIAC ARRHYTHMIA AND/OR MAINTAINING NORMAL SINUS RHYTHM IN MAMMALS ChanRx Corporation (US) 2013-06-12 EP disclosed
WO-2012018795-A1 PHARMACEUTICAL COMPOSITIONS FOR TERMINATING ACUTE EPISODES OF CARDIAC ARRHYTHMIA, RESTORING SINUS RHYTHM, PREVENTING RECURRENCE OF CARDIAC ARRHYTHMIA AND/OR MAINTAINING NORMAL SINUS RHYTHM IN MAMMALS CHANTEST CORPORATION (US) 2012-02-09 WO disclosed
US-20080293735-A1 Therapeutic treatment for metabolic syndrome, type 2 diabetes, obesity, or prediabetes VEROSCIENCE, LLC 2008-11-27 US disclosed
US-20080200453-A1 Administering dopamine antagonist such as bromocriptine; hypotensive agents, metabolism disorders, obesity, hypertension, hypertriglyceridemia, and insulin resistance (with or without treating obesity or endothelial dysfunction) associated with or independent from Metabolic Syndrome VEROSCIENCE, LLC 2008-08-21 US disclosed
EP-1539153-A4 THERAPEUTIC TREATMENT FOR THE METABOLIC SYNDROME AND TYPE 2 DIABETES GEMATRIA SCIENCES LLC (US) 2007-11-07 EP disclosed
WO-2006012476-A3 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS WYETH CORP (US) 2006-06-08 WO disclosed
WO-2006012476-A2 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS WYETH (US) 2006-02-02 WO disclosed
EP-1539153-A2 THERAPEUTIC TREATMENT FOR THE METABOLIC SYNDROME AND TYPE 2 DIABETES Gematria Sciences, LLC (US) 2005-06-15 EP disclosed
US-20050054734-A1 Therapeutic treatment for the metabolic syndrome, type2 diabetes, obesity, or prediabetes CINCOTTA ANTHONY H (US) 2005-03-10 US disclosed
US-20050054652-A1 Methods of treating metabolic syndrome using dopamine receptor agonists CINCOTTA ANTHONY H (US) 2005-03-10 US disclosed
US-20040220190-A1 Methods of treating metabolic syndrome using dopamine receptor agonists CINCOTTA ANTHONY H (US) 2004-11-04 US disclosed
US-20040077679-A1 Therapeutic treatment for the metabolic syndrome and type 2 diabetes CINCOTTA ANTHONY H (US) 2004-04-22 US disclosed
WO-2004010946-A2 THERAPEUTIC TREATMENT FOR THE METABOLIC SYNDROME AND TYPE 2 DIABETES GEMATRIA SCIENCES, LLC (US) 2004-02-05 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 (2 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-20180177874-A1 Methods of Treating Metabolic Syndrome Using Dopamine Receptor Agonists GPR119, GLP1R, PRLHR SLC6A3 76/4885SLC6A4 337/4885SLC6A2 168/4885
US-20080200453-A1 Administering dopamine antagonist such as bromocriptine; hypotensive agents, metabolism disorders, obesity, hypertension, hypertriglyceridemia, and insulin resistance (with or without treating obesity or endothelial dysfunction) associated with or independent from Metabolic Syndrome LIPG, LIPE, GPR119 SLC6A3 32/4885SLC6A4 168/4885SLC6A2 64/4885

“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.