SCHEMBL4592567

SCHEMBL4592567

CCc1c(Cl)cc(NCC(N)=O)c(CC)c1NC(=O)N(Cc1ccc(OC)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.38
BCL2A1 Q16548 2/20 0.38
GPR183 P32249 1/20 0.37
ADGRF1 Q5T601 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
BMP1 P13497 2/20 0.36
POLB P06746 2/20 0.36
RNF4 P78317 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPBWR1 P48145 1/20 0.34
DRD2 P14416 2/20 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
SCHEMBL4592821 0.93 C5AR1 (0.38) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL4592040 0.91 C5AR1 (0.39) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL5154118 0.89 C5AR1 (0.36) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL4592357 0.88 C5AR1 (0.37) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL4592145 0.86 BCL2A1 (0.41) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL5049239 0.85 BCL2A1 (0.41) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL4592666 0.84 APP (0.41) SMN1; SMN2TP53MAPTPOLBALDH1A1
SCHEMBL4592452 0.83 SMN1; SMN2 (0.36) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL12047957 0.82 ALDH1A1 (0.44) C5AR1BCL2A1GPR183ADGRF1GPR65
SCHEMBL5050220 0.82 BCL2A1 (0.43) C5AR1BCL2A1GPR183ADGRF1GPR65

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 14 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
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 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-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-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
US-20080220003-A1 C5a Receptor Antagonists JERINI AG (DE) 2008-09-11 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
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 C5AR1 3/4885BCL2A1 4036/4885GPR183 590/4885

“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.