SCHEMBL4592545

SCHEMBL4592545

CCc1ccc(N)c(CC)c1NC(=O)N(CC1CCCCC1)c1ccc(C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
EPHX2 P34913 2/20 0.40
PDK1 Q15118 2/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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 0.87 CTSD (0.37) L3MBTL1
SCHEMBL4592857 0.87 EPHX1 (0.39) EPHX1EPHX2PDK1PDK2PDK3
SCHEMBL4591774 0.83 CTSD (0.34)
SCHEMBL4592431 0.78 CNR2 (0.38) TP53
SCHEMBL4592616 0.78 RAB9A (0.40) EPHX1L3MBTL1SMN1; SMN2
SCHEMBL27723971 0.77 MAPT (0.33) EPHX2L3MBTL1TP53
SCHEMBL4592440 0.76 BCL2A1 (0.40) PDK1TP53SMN1; SMN2
SCHEMBL4591943 0.76 PDK2 (0.38) PDK1PDK2PDK4TP53
SCHEMBL5049244 0.76 MEN1 (0.37) SMN1; SMN2
SCHEMBL4592284 0.74 TRPM8 (0.35) TP53SMN1; 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 11 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
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 EPHX1 1491/4885EPHX2 985/4885PDK1 4787/4885

“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.