SCHEMBL3893572

SCHEMBL3893572

[CH2]CCCNC(=O)CCCCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.55
PAOX Q6QHF9 3/20 0.47
FAAH O00519 3/20 0.44
KDM4A O75164 1/20 0.44
HIF1A Q16665 1/20 0.44
TET2 Q6N021 1/20 0.44
DOHH Q9BU89 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PLG P00747 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
SLC6A2 P23975 1/20 0.43
RECQL P46063 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
DNM1 Q05193 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL15058466 0.94 SLC6A5 (0.58) SLC6A5PAOXFAAHKDM4AHIF1A
SCHEMBL2403510 0.92 SLC6A5 (0.55) SLC6A5PAOXFAAHKDM4AHIF1A
SCHEMBL16799424 0.90 SLC6A5 (0.53) SLC6A5PAOXFAAHKDM4AHIF1A
SCHEMBL16799036 0.90 SLC6A5 (0.53) SLC6A5PAOXFAAHKDM4AHIF1A
SCHEMBL9508493 0.90 SLC6A5 (0.53) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL16798900 0.90 SLC6A5 (0.53) SLC6A5PAOXFAAHKDM4AHIF1A
SCHEMBL9505937 0.88 SLC6A5 (0.46) SLC6A5PAOXFAAHKDM4AHIF1A
SCHEMBL8863653 0.88 SLC6A5 (0.50) SLC6A5PAOXFAAHKDM4AHIF1A
SCHEMBL7215984 0.88 SLC6A5 (0.67) SLC6A5PAOXFAAHKDM4AHIF1A
SCHEMBL7215946 0.88 SLC6A5 (0.67) SLC6A5PAOXFAAHKDM4AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842196-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-11-21 EP claimed
US-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 US claimed
US-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 US claimed
US-6239108-B1 Cell adhesion inhibitors BIOGEN, INC. 2001-05-29 US claimed
EP-0842196-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-05-20 EP claimed
WO-1997003094-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-01-30 WO claimed
EP-1778717-A4 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2009-01-21 EP disclosed
EP-0842196-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-11-21 EP disclosed
EP-1778717-A2 CELL ADHESION INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-02 EP disclosed
US-7196112-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2007-03-27 US disclosed
US-20070066533-A1 Cell adhesion inhibitors LEE WEN-CHERNG 2007-03-22 US disclosed
WO-2006019632-A2 CELL ADHESION INHIBITORS BIOGEN IDEC MA INC. (US) 2006-02-23 WO disclosed
US-20060014966-A1 Cell adhesion inhibitors BIOGEN IDEC MA INC. 2006-01-19 US disclosed
US-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 US disclosed
US-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 US disclosed
US-6248713-B1 OLIGOPEPTIDE FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BIOGEN, INC. 2001-06-19 US disclosed
US-6239108-B1 Cell adhesion inhibitors BIOGEN, INC. 2001-05-29 US disclosed
WO-1997003094-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-01-30 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 (2 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-20070066533-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 SLC6A5 3228/4885PAOX 3736/4885FAAH 2388/4885
US-20060014966-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 SLC6A5 3228/4885PAOX 3736/4885FAAH 2388/4885

“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.