SCHEMBL2177400

SCHEMBL2177400

Cc1c(Cn2ccc(OCCc3cccs3)cc2=O)cccc1NCCN1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.40
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MCHR1 Q99705 4/20 0.38
NR3C1 P04150 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2177619 0.94 MCHR1 (0.43) CCR4MCHR1
SCHEMBL2178000 0.93 MCHR1 (0.42) CCR4MCHR1
SCHEMBL2175171 0.88 CCR4 (0.39) CCR4ALDH1A1MCHR1
SCHEMBL2176775 0.86 CYP2D6 (0.37) CCR4ALDH1A1MCHR1CYP2C19
SCHEMBL2178011 0.86 CCR4 (0.38) CCR4ALDH1A1MCHR1
SCHEMBL2174669 0.85 CCR4 (0.37) CCR4BRD4MCHR1
SCHEMBL2174575 0.84 MTNR1A (0.38) CCR4ALDH1A1
SCHEMBL2176019 0.83 CCR4 (0.38) CCR4MCHR1
SCHEMBL2176002 0.83 CCR4 (0.41) CCR4MCHR1
SCHEMBL2177317 0.83 DRD2 (0.44) CCR4MCHR1NR3C1

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 4278/4885BRD4 892/4885ALDH1A1 4172/4885

“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.