SCHEMBL2176019

SCHEMBL2176019

Cc1c(Cn2ccc(OCCc3cccs3)cc2=O)cccc1NCCC1CCCN1C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.38
METAP2 P50579 2/20 0.36
MCHR1 Q99705 5/20 0.36
CHRM3 P20309 3/20 0.36
KCNH2 Q12809 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAD52 P43351 2/20 0.34
GFER P55789 1/20 0.34
MITF O75030 1/20 0.34
ACP1 P24666 1/20 0.34
SLC2A1 P11166 1/20 0.34

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 0.93 CCR4 (0.41) CCR4MCHR1CHRM3KCNH2
SCHEMBL2177619 0.86 MCHR1 (0.43) CCR4MCHR1KCNH2
SCHEMBL2178000 0.86 MCHR1 (0.42) CCR4MCHR1KCNH2
SCHEMBL2175171 0.84 CCR4 (0.39) CCR4MCHR1NPC1RAB9A
SCHEMBL2176002 0.84 CCR4 (0.41) CCR4MCHR1
SCHEMBL2178011 0.83 CCR4 (0.38) CCR4MCHR1NPC1RAB9A
SCHEMBL2177400 0.83 CCR4 (0.40) CCR4MCHR1
SCHEMBL2174669 0.82 CCR4 (0.37) CCR4MCHR1RAD52
SCHEMBL2174575 0.81 MTNR1A (0.38) CCR4NPC1RAB9A
SCHEMBL2174961 0.80 CCR4 (0.38) CCR4MCHR1NPC1RAB9A

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 4278/4885METAP2 4473/4885MCHR1 4586/4885

“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.