SCHEMBL6447559

SCHEMBL6447559

N[C@@H](Cc1ccccc1)[C@@H](O)CN(N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.49
EPHX1 P07099 1/20 0.47
SLC15A1 P46059 1/20 0.43
SPPL2A Q8TCT8 1/20 0.43
ANPEP P15144 2/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
LAP3 P28838 5/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
SLC6A2 P23975 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
AOC3 Q16853 1/20 0.40

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
Hydrochloric Acid SCHEMBL7290116 0.91 OPRD1 (0.48) CSNK1EEPHX1SLC15A1SPPL2AANPEP
Hydrochloric Acid SCHEMBL6442992 0.91 OPRD1 (0.48) CSNK1EEPHX1SLC15A1SPPL2AANPEP
Hydrochloric Acid SCHEMBL6444616 0.91 CSNK1E (0.43) CSNK1EEPHX1SLC15A1SPPL2AANPEP
SCHEMBL6443817 0.91 CSNK1E (0.43) CSNK1EEPHX1SLC15A1SPPL2AANPEP
SCHEMBL6448463 0.89 MEN1 (0.41) CSNK1EEPHX1SLC15A1SPPL2AANPEP
SCHEMBL6709369 0.88 LTA4H (0.44) CSNK1ELAP3SLC6A4AOC3LTA4H
SCHEMBL6709371 0.88 LTA4H (0.44) CSNK1ELAP3SLC6A4AOC3LTA4H
Hydrochloric Acid SCHEMBL6443043 0.87 LTA4H (0.44) CSNK1ELAP3SLC6A4AOC3LTA4H
SCHEMBL7487658 0.87 CNR2 (0.51) CSNK1E
Hydrochloric Acid SCHEMBL7289226 0.87 LTA4H (0.44) CSNK1ELAP3SLC6A4AOC3LTA4H

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CSNK1E 954/4885EPHX1 532/4885SLC15A1 3052/4885

“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.