SCHEMBL4592692

SCHEMBL4592692

CCc1ccc(N)c(CC)c1NC(=O)N(Cc1ccc(OC)cc1F)c1ccc(C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.37
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
C5AR1 P21730 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GPR183 P32249 1/20 0.34
ADGRF1 Q5T601 1/20 0.34
GPR65 Q8IYL9 1/20 0.34
NR1H3 Q13133 1/20 0.34
LMNA P02545 1/20 0.33
CHRM4 P08173 1/20 0.33
BMP1 P13497 1/20 0.33
OXTR P30559 1/20 0.33
HTR2A P28223 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4592387 0.91 CTSD (0.37) PTK2POLBC5AR1MEN1KMT2A
SCHEMBL4592456 0.91 PTK2 (0.35) PTK2POLBTP53C5AR1RAB9A
SCHEMBL12047724 0.90 ALDH1A1 (0.40) POLBTP53C5AR1RAB9AMEN1
SCHEMBL4592440 0.87 BCL2A1 (0.40) POLBTP53C5AR1RAB9AMEN1
SCHEMBL4591774 0.87 CTSD (0.34) C5AR1GPR183ADGRF1GPR65HTR2A
SCHEMBL4592636 0.83 KDM4E (0.32) PTK2POLBTP53MEN1KMT2A
SCHEMBL4592639 0.83 KDM4E (0.32) PTK2POLBTP53MEN1KMT2A
SCHEMBL5049244 0.83 MEN1 (0.37) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4592189 0.82 C5AR1 (0.37) POLBTP53C5AR1RAB9AMEN1
SCHEMBL4592162 0.80 KMT2A (0.40) POLBTP53RAB9AMEN1KMT2A

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 10 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
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 PTK2 2525/4885POLB 4807/4885TP53 4032/4885

“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.