SCHEMBL4592643

SCHEMBL4592643

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
UTS2R Q9UKP6 6/20 0.36
CETP P11597 2/20 0.36
LMNA P02545 1/20 0.36
GCGR P47871 4/20 0.34
GIPR P48546 4/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33

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
SCHEMBL27703384 0.91 UTS2R (0.40) PDK1UTS2RCETPTP53MAPT
SCHEMBL4592219 0.91 MAPT (0.37) PDK2PDK4TP53MAPT
SCHEMBL4592510 0.90 CYP3A4 (0.39) PDK1PDK2PDK4TP53MAPT
SCHEMBL4592628 0.89 CNR2 (0.38) PDK1LMNATP53MAPT
SCHEMBL4591412 0.89 GCGR (0.42) PDK1GCGRGIPR
SCHEMBL4592269 0.88 PDK1 (0.38) PDK1PDK2PDK4LMNATP53
SCHEMBL4591943 0.87 PDK2 (0.38) PDK1PDK2PDK4UTS2RCETP
SCHEMBL4592072 0.87 KCNH2 (0.37)
SCHEMBL4592145 0.86 BCL2A1 (0.41) PDK1TP53MAPT
SCHEMBL4592679 0.86 OXTR (0.35) PDK1PDK2PDK4CETPLMNA

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 PDK1 4787/4885PDK2 4759/4885PDK4 4624/4885

“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.