SCHEMBL2177809

SCHEMBL2177809

CCCCCOc1ccn(Cc2cccc(OCCN(C)C)c2C)c(=O)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
THRA P10827 5/20 0.41
THRB P10828 4/20 0.41
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MAPK14 Q16539 1/20 0.37
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL2177443 0.82 MAPK14 (0.38) MCHR1THRATHRBMAPK14
SCHEMBL2176092 0.81 MCHR1 (0.41) MCHR1MAPK14
SCHEMBL2175874 0.81 TSHR (0.44) MCHR1MAPK14
SCHEMBL2175439 0.81 MAPK14 (0.39) MCHR1MAPK14
SCHEMBL12489753 0.79 MAPK14 (0.39) MCHR1MAPK14
SCHEMBL2176608 0.79 MAPK14 (0.45) TP53MAPTMAPK14
SCHEMBL2178381 0.78 MAPK14 (0.39) MAPK14
SCHEMBL2174907 0.78 MAPK14 (0.47) MAPTMAPK14
SCHEMBL2177989 0.78 MEN1 (0.41) MAPTMAPK14
SCHEMBL2178035 0.78 MAPK14 (0.49) MAPK14

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-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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 (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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT MCHR1 4586/4885THRA 4283/4885THRB 4479/4885

“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.