SCHEMBL634189

SCHEMBL634189

CC(Br)C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.58
CHRNG P07510 1/20 0.58
CHRNB1 P11230 1/20 0.58
CHRNB2 P17787 1/20 0.58
SLC6A2 P23975 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
SLC6A3 Q01959 1/20 0.58
CHRND Q07001 1/20 0.58
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAS1R3 Q7RTX0 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
SCHEMBL10734706 0.85 KDM4E (0.50) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3860137 0.84 CHRNA1 (0.62) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL18527134 0.84 ALDH1A1 (0.44) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL786551 0.84 SMN1; SMN2 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6955765 0.82 CES2 (0.62) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL311225 0.81 HDAC8 (0.49) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9227046 0.81 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16569128 0.80 CES2 (0.56) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL20702960 0.80 CES2 (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10762807 0.79 CHRNA1 (0.57) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 11 patents. 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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 US disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 EP disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 WO disclosed
EP-0583271-B1 ARYLMORPHOLINE, PREPARATION AND USE WELLCOME FOUND (GB) 1998-11-11 EP disclosed
US-5760224-A ANTIDEPRESSANTS FOR TREATING PSYCHOLOGICAL DISORDERS GLAXO WELLCOME INC. (US) 1998-06-02 US disclosed
US-5648347-A ANTIDEPRESSANTS GLAXO WELLCOME INC. (US) 1997-07-15 US disclosed
EP-0583271-A1 ARYLMORPHOLINE, PREPARATION AND USE THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-23 EP disclosed
WO-1992018489-A1 ARYLMORPHOLINE, PREPARATION AND USE THE WELLCOME FOUNDATION LIMITED (GB) 1992-10-29 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 (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 CHRNA1 186/4885CHRNG 477/4885CHRNB1 168/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 CHRNA1 186/4885CHRNG 477/4885CHRNB1 168/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 CHRNA1 186/4885CHRNG 477/4885CHRNB1 168/4885

“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.