SCHEMBL634064

SCHEMBL634064

CCCCCCC(Br)C(=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
EPHX2 P34913 1/20 0.46
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
EPHX1 P07099 3/20 0.45
SLC6A2 P23975 3/20 0.45
CHRNA1 P02708 2/20 0.45
CHRNG P07510 2/20 0.45
CHRNB1 P11230 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45
SLC6A4 P31645 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA4 P43681 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CHRND Q07001 2/20 0.45
ITGA5 P08648 1/20 0.45

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
SCHEMBL634447 0.99 ALDH1A1 (0.50) ALDH1A1HPGDEPHX2LCKPPARD
SCHEMBL634150 0.94 ALDH1A1 (0.51) ALDH1A1HPGDEPHX1SLC6A2CHRNA1
SCHEMBL634167 0.88 SLC6A2 (0.49) ALDH1A1HPGDSLC6A2CHRNA1CHRNG
SCHEMBL10965524 0.82 MMP2 (0.55) ALDH1A1LCKPPARDZDHHC20ZDHHC2
SCHEMBL10833561 0.82 MMP2 (0.55) ALDH1A1LCKPPARDZDHHC20ZDHHC2
SCHEMBL2871593 0.82 LCK (0.58) ALDH1A1LCKPPARDZDHHC20ZDHHC2
SCHEMBL633919 0.82 SLC6A2 (0.51) ALDH1A1HPGDSLC6A2CHRNA1CHRNG
SCHEMBL11754693 0.82 LCK (0.58) ALDH1A1LCKPPARDZDHHC20ZDHHC2
SCHEMBL1248513 0.81 LCK (0.55) ALDH1A1LCKPPARDZDHHC20ZDHHC2
SCHEMBL633368 0.79 SLC6A2 (0.60) ALDH1A1HPGDEPHX2EPHX1SLC6A2

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 6 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

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 ALDH1A1 521/4885HPGD 2548/4885EPHX2 2235/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 ALDH1A1 521/4885HPGD 2548/4885EPHX2 2235/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 ALDH1A1 521/4885HPGD 2548/4885EPHX2 2235/4885

“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.