SCHEMBL770101

SCHEMBL770101

CC(Br)C(=O)c1cc(F)cc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.55
CES2 O00748 5/20 0.53
CES1 P23141 5/20 0.53
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HCAR1 Q9BXC0 1/20 0.38
MDM2 Q00987 2/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
GSK3B P49841 1/20 0.35
GRM5 P41594 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
GRIA2 P42262 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL8021523 0.88 SLC6A3 (0.45) SLC6A3CES2CES1ALDH1A1CYP1A2
SCHEMBL6924827 0.84 SLC6A3 (0.45) SLC6A3CES2CES1GSK3B
SCHEMBL8310512 0.82 SLC6A3 (0.58) SLC6A3CES2CES1HCAR1MDM2
SCHEMBL20702960 0.81 CES2 (0.55) SLC6A3CES2CES1ALDH1A1CYP1A2
SCHEMBL312334 0.80 CES2 (0.57) SLC6A3CES2CES1ALDH1A1CYP1A2
SCHEMBL1938267 0.78 CES2 (0.50) SLC6A3CES2CES1ALDH1A1CYP1A2
SCHEMBL4102288 0.77 ALDH1A1 (0.51) SLC6A3CES2CES1ALDH1A1CYP1A2
SCHEMBL4457802 0.77 SLC6A3 (0.53) SLC6A3CES2CES1HCAR1MDM2
SCHEMBL10728286 0.76 TPMT (0.50) SLC6A3ALDH1A1CYP1A2CYP2C9HCAR1
SCHEMBL635635 0.74 TPMT (0.48) SLC6A3ALDH1A1CYP1A2CYP2C9HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426416-B1 Novel morpholinol compounds, their preparation and use WELLCOME FOUND (GB) 1994-02-16 EP claimed
EP-0426416-A1 Novel morpholinol compounds, their preparation and use THE WELLCOME FOUNDATION LIMITED (GB) 1991-05-08 EP claimed
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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 US disclosed
EP-1220673-A2 MORPHOLINOL DERIVATIVES FOR THE TREATMENT OF OBESITY GLAXO GROUP LIMITED (GB) 2002-07-10 EP disclosed
WO-2001026641-A2 MORPHOLINOL DERIVATIVES FOR THE TREATMENT OF OBESITY GLAXO GROUP LIMITED (GB) 2001-04-19 WO disclosed
EP-0475443-B1 Chemical synthesis of oligonucleotides HOECHST AG (DE) 1994-10-19 EP disclosed
EP-0426416-B1 Novel morpholinol compounds, their preparation and use WELLCOME FOUND (GB) 1994-02-16 EP disclosed
US-5104870-A Psychological disorders BURROUGHS WELLCOME CO. (US) 1992-04-14 US disclosed
EP-0475443-A2 Chemical synthesis of oligonucleotides HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-18 EP disclosed
EP-0426416-A1 Novel morpholinol compounds, their preparation and use THE WELLCOME FOUNDATION LIMITED (GB) 1991-05-08 EP 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 (3 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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885CES2 100/4885CES1 577/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885CES2 100/4885CES1 577/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885CES2 100/4885CES1 577/4885

“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.