SCHEMBL4592145

SCHEMBL4592145

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 2/20 0.41
C5AR1 P21730 2/20 0.41
GPR183 P32249 1/20 0.40
ADGRF1 Q5T601 1/20 0.40
GPR65 Q8IYL9 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
BMP1 P13497 2/20 0.39
RNF4 P78317 1/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPBWR1 P48145 1/20 0.37
TSPO P30536 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL4592189 0.93 C5AR1 (0.37) BCL2A1C5AR1GPR183ADGRF1GPR65
SCHEMBL4593125 0.93 BCL2A1 (0.43) BCL2A1SMN1; SMN2TP53MAPTRNF4
SCHEMBL4592219 0.92 MAPT (0.37) C5AR1GPR183ADGRF1GPR65SMN1; SMN2
SCHEMBL4592510 0.91 CYP3A4 (0.39) BCL2A1SMN1; SMN2TP53MAPTCYP3A4
SCHEMBL4592628 0.90 CNR2 (0.38) TP53MAPTCYP3A4POLBPDK1
SCHEMBL4591412 0.90 GCGR (0.42) C5AR1CYP3A4ALDH1A1NPBWR1PDK1
SCHEMBL5049239 0.89 BCL2A1 (0.41) BCL2A1C5AR1GPR183ADGRF1GPR65
SCHEMBL4592269 0.89 PDK1 (0.38) SMN1; SMN2TP53MAPTRNF4RAB9A
SCHEMBL4592935 0.88 BCL2A1 (0.40) BCL2A1SMN1; SMN2TP53MAPTRNF4
SCHEMBL4592610 0.87 C5AR1 (0.33) BCL2A1C5AR1GPR183ADGRF1GPR65

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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
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 BCL2A1 4036/4885C5AR1 3/4885GPR183 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.