SCHEMBL2175778

SCHEMBL2175778

Cc1c(Cn2ccc(OCCc3cccs3)cc2=O)cccc1NCC(=O)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.38
CCR4 P51679 1/20 0.38
CACNA1B Q00975 3/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCHR1 Q99705 4/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL2174961 0.99 CCR4 (0.38) CYP2D6CCR4CACNA1BALDH1A1HPGD
SCHEMBL2175792 0.94 CCR4 (0.43) CYP2D6CCR4ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2176775 0.93 CYP2D6 (0.37) CYP2D6CCR4ALDH1A1HPGDNPC1
SCHEMBL2178339 0.88 CCR4 (0.38) CCR4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2177786 0.87 CCR4 (0.37) CCR4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2178000 0.86 MCHR1 (0.42) CCR4MCHR1
SCHEMBL2176613 0.86 CCR4 (0.36) CYP2D6CCR4MCHR1PPARG
SCHEMBL2177619 0.85 MCHR1 (0.43) CCR4MCHR1
SCHEMBL2178011 0.84 CCR4 (0.38) CCR4ALDH1A1HPGDNPC1RAB9A
SCHEMBL2174575 0.83 MTNR1A (0.38) CCR4ALDH1A1NPC1RAB9ASMN1; SMN2

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 CYP2D6 3210/4885CCR4 4278/4885CACNA1B 1517/4885

“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.