Sugi Predict

Sugi Predict / Compounds / SCHEMBL769423

SCHEMBL769423

SCHEMBL769423

CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 6/20 0.52
▸ SLC6A3 Q01959 6/20 0.52
▸ SLC6A2 P23975 6/20 0.52
▸ CHRNA1 P02708 2/20 0.50
▸ CHRNG P07510 2/20 0.50
▸ CHRNB1 P11230 2/20 0.50
▸ CHRNB2 P17787 2/20 0.50
▸ CHRNB4 P30926 2/20 0.50
▸ CHRNA3 P32297 2/20 0.50
▸ CHRNA4 P43681 2/20 0.50
▸ CHRND Q07001 2/20 0.50
▸ TAS1R3 Q7RTX0 2/20 0.46
▸ TAS1R1 Q7RTX1 2/20 0.46
▸ TSHR P16473 2/20 0.44
▸ HPGD P15428 1/20 0.43
▸ GRN P28799 1/20 0.42
▸ SORT1 Q99523 1/20 0.42
▸ ITGA5 P08648 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HRH1 P35367 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
SCHEMBL31061196 1.00 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL634229 0.89 SLC6A3 (0.52) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL798775 0.83 GRN (0.58) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL769847 0.82 SLC6A2 (0.64) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL770039 0.78 SLC6A3 (0.78) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL633568 0.75 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2TSHRHPGD
SCHEMBL769133 0.75 SLC6A2 (0.61) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL634045 0.75 SLC6A2 (0.61) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL633368 0.74 SLC6A2 (0.60) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL15367648 0.72 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2TSHRHPGD

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 7 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-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
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 — — US disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 — — 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 SLC6A4 2/4885SLC6A3 3/4885SLC6A2 1/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885SLC6A3 3/4885SLC6A2 1/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885SLC6A3 3/4885SLC6A2 1/4885

“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.