SCHEMBL2178111

SCHEMBL2178111

Cc1c(Cn2ccc(OCCc3cccs3)cc2=O)cccc1NCC1CCCN1C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.41
MCHR1 Q99705 7/20 0.36
KCNH2 Q12809 2/20 0.36
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRM3 P20309 1/20 0.33
PPARG P37231 1/20 0.33
CACNA2D1 P54289 1/20 0.33

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
SCHEMBL2176019 0.93 CCR4 (0.38) CCR4MCHR1KCNH2CHRM3
SCHEMBL2176002 0.88 CCR4 (0.41) CCR4MCHR1PPARG
SCHEMBL2177619 0.84 MCHR1 (0.43) CCR4MCHR1KCNH2
SCHEMBL2178000 0.84 MCHR1 (0.42) CCR4MCHR1KCNH2
SCHEMBL2175171 0.82 CCR4 (0.39) CCR4MCHR1PPARG
SCHEMBL2174961 0.81 CCR4 (0.38) CCR4MCHR1PPARG
SCHEMBL2177400 0.81 CCR4 (0.40) CCR4MCHR1
SCHEMBL2178011 0.81 CCR4 (0.38) CCR4MCHR1PPARG
SCHEMBL2175792 0.81 CCR4 (0.43) CCR4MCHR1PPARGCACNA2D1
SCHEMBL2175778 0.81 CYP2D6 (0.38) CCR4MCHR1PPARG

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 CCR4 4278/4885MCHR1 4586/4885KCNH2 1674/4885

“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.