SCHEMBL769768

SCHEMBL769768

CC(NC(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.66
SLC6A2 P23975 5/20 0.66
CHRNA1 P02708 4/20 0.66
CHRNG P07510 4/20 0.66
CHRNB1 P11230 4/20 0.66
CHRNB2 P17787 4/20 0.66
CHRNB4 P30926 4/20 0.66
CHRNA3 P32297 4/20 0.66
CHRNA4 P43681 4/20 0.66
CHRND Q07001 4/20 0.66
SLC6A4 P31645 4/20 0.66
HRH1 P35367 3/20 0.66
KCNH2 Q12809 3/20 0.66
OPRK1 P41145 2/20 0.66
ITGA5 P08648 1/20 0.66
CYP2C19 P33261 1/20 0.66
CHRNA7 P36544 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 1/20 0.64
BLM P54132 1/20 0.64

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
Hydrochloric Acid SCHEMBL10618419 0.98 SLC6A2 (0.67) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL769850 0.83 SLC6A3 (0.62) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL770168 0.81 SLC6A3 (0.65) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL10470790 0.81 SLC6A3 (0.59) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL770391 0.81 SLC6A3 (0.67) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL769882 0.81 SLC6A3 (0.70) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL26192588 0.81 SLC6A3 (0.70) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
Bupropion SCHEMBL38777 0.80 SLC6A3 (1.00) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL770228 0.80 SLC6A3 (0.71) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
Bupropion SCHEMBL12499296 0.80 SLC6A3 (1.00) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 US disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 US disclosed
US-9504640-B2 Modified release formulations of a bupropion salt VALEANT PHARMACEUTICALS LUXEMBOURG S.Á.R.L. (LU) 2016-11-29 US disclosed
US-20150202147-A1 Modified Release Formulations Of A Bupropion Salt VALEANT INTERNATIONAL BERMUDA (BM) 2015-07-23 US disclosed
US-8932628-B2 Modified release formulations of a bupropion salt VALEANT INTERNATIONAL BERMUDA (BM) 2015-01-13 US disclosed
US-8354453-B2 Bupropion hydrobromide and therapeutic applications VALEANT INTERNATIONAL BERMUDA (BM) 2013-01-15 US disclosed
EP-2502621-A1 Crystalline forms of bupropion HBr Valeant International (Barbados) SRL (BB) 2012-09-26 EP disclosed
EP-2474308-A1 Pharmaceutical formulations containing bupropion hydrobromide Valeant International (Barbados) SRL (BB) 2012-07-11 EP disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 US disclosed
US-20070276047-A1 Administering bupropion hydrobromide to treat seasonal affective, obsessive compulsive, post-traumatic stress, psychological, respiratory system, attention deficit/hyperactivity, sexual or sleep disorders; anxiolytic agents, antidepressants; neurpathic pain, fibromyalgia, viricides; headaches, obesity BIOVAIL LABORATORIES INTERNATIONAL S.R.L. (BB) 2007-11-29 US disclosed
US-20070269516-A1 Controlled release matrix BIOAVAIL LABORATORIES INTERNATIONAL S.R.L. (BB) 2007-11-22 US disclosed
US-7241805-B2 For therapy of depressive condition BIOVAIL LABORATORIES, INC. (CA) 2007-07-10 US disclosed
US-20070027213-A1 For therapy of depressive condition BIOVAIL LABORATORIES INTERNATIONAL S.R.L. (CA) 2007-02-01 US disclosed
WO-2007002597-A2 MODIFIED-RELEASE FORMULATIONS OF A BUPROPION SALT BIOVAIL LABORATORIES INTERNATIONAL S.R.L. (BB) 2007-01-04 WO disclosed
US-20050118286-A1 Compositions and methods for treatment of nervous system disorders CNS RESPONSE 2005-06-02 US disclosed
US-20050096311-A1 comprising an anticonvulsant and a neuroactive modulator; eg childhood disorders, cognitive disorders, substance disorders, schizophrenia, psychotic disorders mood disorders, anxiety disorders, somatoform disorders, factitious disorders, dissociative disorders, sexual disorders, gender identity disorders CNS RESPONSE (US) 2005-05-05 US disclosed
EP-0415613-B1 Use of sertraline for the treatment of premature ejaculation PFIZER (US) 1994-09-07 EP disclosed
US-3885046-A Meta chloro or fluoro substituted alpha-T-butylaminopropionphenones in the treatment of depression BURROUGHS WELLCOME CO 1975-05-20 US disclosed
US-3885046-A Meta chloro or fluoro substituted alpha-T-butylaminopropionphenones in the treatment of depression BURROUGHS WELLCOME CO 1975-05-20 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-20150202147-A1 Modified Release Formulations Of A Bupropion Salt SLC6A2, SLC6A3, SLC6A11 SLC6A3 2/4885SLC6A2 1/4885CHRNA1 308/4885
US-20070276047-A1 Administering bupropion hydrobromide to treat seasonal affective, obsessive compulsive, post-traumatic stress, psychological, respiratory system, attention deficit/hyperactivity, sexual or sleep disorders; anxiolytic agents, antidepressants; neurpathic pain, fibromyalgia, viricides; headaches, obesity HCRTR2, HCRTR1, SLC6A2 SLC6A3 11/4885SLC6A2 3/4885CHRNA1 784/4885
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885SLC6A2 1/4885CHRNA1 186/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885SLC6A2 1/4885CHRNA1 186/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885SLC6A2 1/4885CHRNA1 186/4885
US-20070027213-A1 For therapy of depressive condition SLC6A2, SLC6A4, HTR5A SLC6A3 4/4885SLC6A2 1/4885CHRNA1 144/4885
US-20070269516-A1 Controlled release matrix SLC6A2, SLC6A11, SLC6A1 SLC6A3 6/4885SLC6A2 1/4885CHRNA1 235/4885

“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.