SCHEMBL2177619

SCHEMBL2177619

Cc1c(Cn2ccc(OCCc3cccs3)cc2=O)cccc1NCCN1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.43
CCR4 P51679 1/20 0.41
BACE1 P56817 3/20 0.36
KCNH2 Q12809 2/20 0.36
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2178000 0.99 MCHR1 (0.42) MCHR1CCR4BACE1KCNH2KDM4E
SCHEMBL2177400 0.94 CCR4 (0.40) MCHR1CCR4
SCHEMBL2175171 0.89 CCR4 (0.39) MCHR1CCR4DRD3
SCHEMBL2178011 0.88 CCR4 (0.38) MCHR1CCR4DRD3
SCHEMBL2176019 0.86 CCR4 (0.38) MCHR1CCR4KCNH2
SCHEMBL2174669 0.86 CCR4 (0.37) MCHR1CCR4DRD3
SCHEMBL2174961 0.86 CCR4 (0.38) MCHR1CCR4
SCHEMBL2174575 0.85 MTNR1A (0.38) CCR4
SCHEMBL2175778 0.85 CYP2D6 (0.38) MCHR1CCR4
SCHEMBL2178111 0.84 CCR4 (0.41) MCHR1CCR4KCNH2

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 6 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
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US 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 MCHR1 4586/4885CCR4 4278/4885BACE1 859/4885

“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.