SCHEMBL4593086

SCHEMBL4593086

CCc1ccc(N(C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)C(C)c2ccc3c(c2)ncn3C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.38
RAB9A P51151 9/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
TP53 P04637 3/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
GFER P55789 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 3/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL4592560 0.92 NPC1 (0.39) NPC1RAB9APOLBSMN1; SMN2KDM4E
SCHEMBL4600776 0.88 NPC1 (0.33) NPC1RAB9APOLBSMN1; SMN2KDM4E
SCHEMBL4592978 0.85 NPC1 (0.34) NPC1RAB9APOLBSMN1; SMN2KDM4E
SCHEMBL4592886 0.84 NPC1 (0.40) NPC1RAB9APOLBSMN1; SMN2KDM4E
SCHEMBL4592887 0.83 QPCT (0.31) NPC1RAB9AKMT2AL3MBTL1
SCHEMBL4592260 0.83 UTS2R (0.36) POLBKMT2A
SCHEMBL4592262 0.83 UTS2R (0.36) POLBKMT2A
SCHEMBL4592977 0.82 NPC1 (0.32) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5049233 0.82 CHRNA7 (0.34) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4592583 0.81 ALDH1A1 (0.40) POLBLMNAHTTHPGDGAA

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
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US claimed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP claimed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 WO claimed
US-8071810-B2 3-(3-Amino-2,6-diisopropyl-phenyl)-1-(4-isopropyl-phenyl)-1-(4-methoxy-benzyl)-urea; autoimmune disorders; inflammation JERINI AG (DE) 2011-12-06 US disclosed
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 US disclosed
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 EP disclosed
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 EP disclosed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 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-20080220003-A1 C5a Receptor Antagonists C3AR1, C5AR2, C5AR1 NPC1 3793/4885RAB9A 2366/4885POLB 4807/4885

“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.