SCHEMBL3663686

SCHEMBL3663686

N#CC(c1ccc2ccccc2c1)C(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.54
SLC6A4 P31645 15/20 0.54
SLC6A3 Q01959 15/20 0.54
KCNH2 Q12809 10/20 0.54
CYP2D6 P10635 7/20 0.54
CYP3A4 P08684 5/20 0.54
UGT2B7 P16662 1/20 0.49
TSHR P16473 1/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL12004836 0.89 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL17455125 0.88 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL16113625 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL17455316 0.84 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8102784 0.82 TSHR (0.58) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4
SCHEMBL17455348 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL17455382 0.80 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL16114671 0.80 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL16114753 0.80 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL16115182 0.79 SLC6A3 (0.56) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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-9944618-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-04-17 US disclosed
US-20160024044-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2016-01-28 US disclosed
WO-2014159251-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-10-02 WO disclosed
US-8507500-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-08-13 US disclosed
US-8440724-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-14 US disclosed
US-20130059864-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-03-07 US disclosed
US-20120220665-A1 Inhibiting Neurotransmitter Reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-08-30 US disclosed
US-20100280127-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2010-11-04 US disclosed
EP-2234960-A2 INHIBITING NEUROTRANSMITTER REUPTAKE Mayo Foundation for Medical Education and Research (US) 2010-10-06 EP disclosed
US-20100168246-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE RICHELSON ELLIOTT 2010-07-01 US disclosed
US-7214826-B2 Amine compounds and inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-05-08 US disclosed
EP-1414425-A4 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION (US) 2007-04-11 EP disclosed
US-20050215647-A1 Amine compounds and inhibiting neurotransmitter reuptake Mayo Foundation for Medical Education and Research and Virginia Tech Intellectual Properties, Inc. 2005-09-29 US disclosed
US-6914080-B2 Amine compounds and inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2005-07-05 US disclosed
US-20040143022-A1 Amine compounds and inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-07-22 US disclosed
EP-1414425-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2004-05-06 EP disclosed
US-6700018-B2 3-HYDROXY-2-(2-NAPHTHYL)PENTYLAMINE DERIVATIVES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-03-02 US disclosed
US-20030027869-A1 Amine compounds and inhibiting neurotransmitter reuptake VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2003-02-06 US disclosed
WO-2003007929-A1 AMINE COMPOUNDS AND INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2003-01-30 WO disclosed
US-6069177-A ADMINISTERING TO THE HUMAN AN EFFECTIVE ANTIDEPRESSANT DOSE OF THE COMPOUND 3-HYDROXY-4,4-DIMETHYL-2-(2'-NAPHTHYL)PENTYL-N,N-DIMETHYLAMINE OR SALT THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2000-05-30 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 (1 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-20160024044-A1 INHIBITING NEUROTRANSMITTER REUPTAKE SLC6A2, SLC18A2, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 4/4885

“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.