SCHEMBL5745644

SCHEMBL5745644

C[C@H](c1ccccc1[Se][Se]c1ccccc1[C@@H](C)N1CCCC1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.42
KCNA5 P22460 7/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 4/20 0.38
KCNH2 Q12809 4/20 0.38
MC4R P32245 1/20 0.38
KCNE1 P15382 2/20 0.37
POLB P06746 1/20 0.36
LTA4H P09960 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL5745645 1.00 CYP2D6 (0.42) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL8983515 0.77 CYP2D6 (0.45) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL31669185 0.76 OPRM1 (0.49) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL13400116 0.76 CYP2D6 (0.44) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL15265126 0.74 OPRM1 (0.48) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL2464534 0.74 CYP2D6 (0.42) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL11886645 0.74 KDM4E (0.49) CYP2D6MC4RMEN1KMT2ACHRM2
SCHEMBL7161785 0.73 SLC6A3 (0.43) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL13553399 0.73 KDM4E (0.51) CYP2D6MC4RMEN1KMT2A
SCHEMBL8983498 0.73 ALDH1A1 (0.46) CYP2D6CYP2C19CYP1A2CYP2C9

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
EP-1378753-B1 A screening method and compounds for treating Friedreich Ataxia SANTHERA PHARMACEUTICALS CH (CH) 2006-05-31 EP claimed
US-20050222218-A1 Screening method and compounds for treating friedreich ataxia SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-06 US claimed
EP-1378753-A1 A screening method and compounds for treating Friedreich Ataxia MYOCONTRACT AG (CH) 2004-01-07 EP claimed
EP-1378753-B1 A screening method and compounds for treating Friedreich Ataxia SANTHERA PHARMACEUTICALS CH (CH) 2006-05-31 EP disclosed
US-20050222218-A1 Screening method and compounds for treating friedreich ataxia SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-06 US disclosed
WO-2004003565-A2 A SCREENING METHOD AND COMPOUNDS FOR TREATING FRIEDREICH ATAXIA SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-01-08 WO disclosed
EP-1378753-A1 A screening method and compounds for treating Friedreich Ataxia MYOCONTRACT AG (CH) 2004-01-07 EP 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 (1 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-20050222218-A1 Screening method and compounds for treating friedreich ataxia GPX1, FECH, PRDX3 CYP2D6 3836/4885KCNA5 3304/4885CYP3A4 4538/4885

“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.