SCHEMBL635635

SCHEMBL635635

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.48
GRN P28799 4/20 0.41
SORT1 Q99523 4/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
SLC6A2 P23975 3/20 0.38
CHRNA1 P02708 2/20 0.38
CHRNG P07510 2/20 0.38
CHRNB1 P11230 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
SLC6A4 P31645 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRND Q07001 2/20 0.38
HCAR1 Q9BXC0 1/20 0.38
ITGA5 P08648 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL13373631 0.82 TPMT (0.52) TPMTGRNSORT1ALDH1A1CYP1A2
SCHEMBL633225 0.80 SLC6A2 (0.59) ALDH1A1CYP1A2CYP2C9SLC6A2CHRNA1
SCHEMBL29848174 0.80 SLC6A2 (0.59) ALDH1A1CYP1A2CYP2C9SLC6A2CHRNA1
SCHEMBL634548 0.78 CES2 (0.50) ALDH1A1CYP1A2CYP2C9ALOX15TSHR
SCHEMBL3128414 0.78 TPMT (0.48) TPMTGRNSORT1ALDH1A1CYP1A2
SCHEMBL9740617 0.78 GSK3B (0.44) ALDH1A1CYP1A2CYP2C9SLC6A2CHRNA1
SCHEMBL10728286 0.76 TPMT (0.50) TPMTALDH1A1CYP1A2CYP2C9SLC6A2
SCHEMBL11078818 0.75 TPMT (0.54) TPMTGRNSORT1CYP1A2HCAR1
SCHEMBL770101 0.74 SLC6A3 (0.55) ALDH1A1CYP1A2CYP2C9SLC6A2CHRNB2
SCHEMBL633270 0.74 TSHR (0.53) GRNSORT1ALDH1A1CYP1A2CYP2C9

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
CN-113234062-B Pyrazinylimidazole compound, weldable protective agent, preparation method and application of pyrazinylimidazole compound and weldable protective agent 赣州市贝加尔电子材料有限公司 2022-07-08 CN disclosed
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-0576350-B1 Branched alkylamino thiazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-10-29 EP disclosed
US-5464847-A Moduators of corticotropin releasing factor ELF SANOFI (FR) 1995-11-07 US disclosed
EP-0576350-A1 Branched alkylamino thiozole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP disclosed
US-4690931-A IN TREATMENT OF ANOXIA OR BRAIN DAMAGE SYNTHELABO (FR) 1987-09-01 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 TPMT 1838/4885GRN 991/4885SORT1 1086/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 TPMT 1838/4885GRN 991/4885SORT1 1086/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 TPMT 1838/4885GRN 991/4885SORT1 1086/4885

“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.