SCHEMBL2176002

SCHEMBL2176002

Cc1c(Cn2ccc(OCCc3cccs3)cc2=O)cccc1NCC1CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.41
MCHR1 Q99705 4/20 0.37
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
MAPK14 Q16539 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
AVPR1B P47901 1/20 0.32
MAPT P10636 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
SCHEMBL2178111 0.88 CCR4 (0.41) CCR4MCHR1PPARG
SCHEMBL2178011 0.86 CCR4 (0.38) CCR4MCHR1HPGDPPARGMAPK14
SCHEMBL2178339 0.85 CCR4 (0.38) CCR4MCHR1PPARGMAPK14MAPT
SCHEMBL2175171 0.85 CCR4 (0.39) CCR4MCHR1HPGDPPARGMAPK14
SCHEMBL2177786 0.85 CCR4 (0.37) CCR4MCHR1PPARGMAPT
SCHEMBL2174669 0.85 CCR4 (0.37) CCR4MCHR1PPARGDRD2
SCHEMBL2177619 0.84 MCHR1 (0.43) CCR4MCHR1
SCHEMBL2177317 0.84 DRD2 (0.44) CCR4MCHR1PPARGDRD2
SCHEMBL2175811 0.84 ABCB1 (0.38) CCR4MCHR1PPARGMAPK14
SCHEMBL2174575 0.84 MTNR1A (0.38) CCR4PPARGMAPT

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 4586/4885HPGD 2921/4885

“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.