SCHEMBL6904571

SCHEMBL6904571

CCCCCS(=O)(=O)N1CCC[N]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.35
CA2 P00918 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
CES2 O00748 2/20 0.31
CES1 P23141 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL11213670 0.71 FAAH (0.35) FAAHCA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6897804 0.71 FAAH (0.41) FAAHCA2ALDH1A1MAPTL3MBTL1
SCHEMBL6897801 0.71 FAAH (0.41) FAAHCA2ALDH1A1MAPTL3MBTL1
SCHEMBL6901401 0.71 FAAH (0.41) FAAHCA2ALDH1A1MAPTL3MBTL1
SCHEMBL1069645 0.71 FAAH (0.41) FAAHCA2ALDH1A1MAPTL3MBTL1
SCHEMBL7509825 0.70 FAAH (0.38) FAAHCA2ALDH1A1MAPTL3MBTL1
SCHEMBL24767441 0.69 FAAH (0.45) FAAHCA2L3MBTL1MAPK1MEN1
SCHEMBL6894873 0.69 L3MBTL1 (0.42) FAAHCA2L3MBTL1POLBHPGD
SCHEMBL2817480 0.69 L3MBTL1 (0.42) FAAHCA2L3MBTL1POLBHPGD
SCHEMBL7505022 0.69 FAAH (0.41) FAAHCA2L3MBTL1NPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734311-B2 ANTIINFLAMMATORY AGENTS; ALZHEIMER'S DISEASE; CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2004-05-11 US disclosed
US-20030092746-A1 Substituted amidine derivatives as inhibitors of cell adhesion MERCK & CO., INC. 2003-05-15 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 (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-20030092746-A1 Substituted amidine derivatives as inhibitors of cell adhesion VCAM1, CD4, ICAM1 FAAH 795/4885CA2 4710/4885ALDH1A1 663/4885

“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.