SCHEMBL770168

SCHEMBL770168

CC(NC(C)(C)C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.65
SLC6A2 P23975 5/20 0.65
CHRNA1 P02708 4/20 0.65
CHRNG P07510 4/20 0.65
CHRNB1 P11230 4/20 0.65
CHRNB2 P17787 4/20 0.65
CHRNB4 P30926 4/20 0.65
CHRNA3 P32297 4/20 0.65
CHRNA4 P43681 4/20 0.65
CHRND Q07001 4/20 0.65
SLC6A4 P31645 3/20 0.65
ITGA5 P08648 1/20 0.54
CYP2C19 P33261 1/20 0.54
HRH1 P35367 1/20 0.54
CHRNA7 P36544 1/20 0.54
OPRK1 P41145 1/20 0.54
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL769850 0.84 SLC6A3 (0.62) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL4393318 0.83 CYP2B6 (0.58) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL770391 0.82 SLC6A3 (0.67) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL10470790 0.82 SLC6A3 (0.59) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL769768 0.81 SLC6A3 (0.66) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL769683 0.80 SLC6A3 (0.68) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL10618419 0.80 SLC6A2 (0.67) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL20481912 0.79 HTR1B (0.49) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL16992600 0.79 HTR1B (0.49) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL11115540 0.79 SLC6A3 (0.56) 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 4 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

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 3/4885SLC6A2 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

“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.