SCHEMBL2174669

SCHEMBL2174669

Cc1c(Cn2ccc(OCCc3cccs3)cc2=O)cccc1NCCN(C)C

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.37
MCHR1 Q99705 4/20 0.34
PPARG P37231 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
RAD52 P43351 1/20 0.33
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
BCHE P06276 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 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
SCHEMBL2178011 0.90 CCR4 (0.38) CCR4MCHR1PPARGDRD2DRD4
SCHEMBL2175171 0.88 CCR4 (0.39) CCR4MCHR1PPARGDRD2DRD4
SCHEMBL2174575 0.87 MTNR1A (0.38) CCR4PPARG
SCHEMBL2177465 0.87 CCR4 (0.36) CCR4MCHR1PPARGDRD2DRD4
SCHEMBL2176613 0.87 CCR4 (0.36) CCR4MCHR1PPARG
SCHEMBL2177317 0.86 DRD2 (0.44) CCR4MCHR1PPARGDRD2DRD4
SCHEMBL2177619 0.86 MCHR1 (0.43) CCR4MCHR1DRD3
SCHEMBL2178339 0.85 CCR4 (0.38) CCR4MCHR1PPARG
SCHEMBL2178000 0.85 MCHR1 (0.42) CCR4MCHR1MAOB
SCHEMBL2176002 0.85 CCR4 (0.41) CCR4MCHR1PPARGDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948601-B1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS INC (KR) 2016-04-13 EP claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
EP-1948601-B1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS INC (KR) 2016-04-13 EP disclosed
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 CCR4 4278/4885MCHR1 4586/4885PPARG 3585/4885

“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.