SCHEMBL2176972

SCHEMBL2176972

CC#[N+]Nc1cccc(Cn2ccc(OCCc3cccs3)cc2=O)c1C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.38
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PPARG P37231 1/20 0.33
MCHR1 Q99705 2/20 0.33
MAPK14 Q16539 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2177317 0.87 DRD2 (0.44) CCR4DRD2DRD4DRD3PPARG
SCHEMBL2178011 0.85 CCR4 (0.38) CCR4DRD2DRD4DRD3PPARG
SCHEMBL2175710 0.84 MAPT (0.40) CCR4PPARGNPC1ALDH1A1MAPT
SCHEMBL2175171 0.84 CCR4 (0.39) CCR4DRD2DRD4DRD3PPARG
SCHEMBL2174669 0.84 CCR4 (0.37) CCR4DRD2DRD4DRD3PPARG
SCHEMBL2174575 0.83 MTNR1A (0.38) CCR4PPARGNPC1ALDH1A1MAPT
SCHEMBL2178339 0.83 CCR4 (0.38) CCR4PPARGMCHR1MAPK14NPC1
SCHEMBL2176002 0.82 CCR4 (0.41) CCR4DRD2PPARGMCHR1MAPK14
SCHEMBL2177786 0.82 CCR4 (0.37) CCR4PPARGMCHR1NPC1ALDH1A1
SCHEMBL2177619 0.82 MCHR1 (0.43) CCR4DRD3MCHR1

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 CCR4 4278/4885DRD2 4103/4885DRD4 3954/4885

“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.