SCHEMBL4592432

SCHEMBL4592432

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
CNR2 P34972 3/20 0.36
KCNK2 O95069 2/20 0.36
KCNK10 P57789 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
CYP3A4 P08684 1/20 0.34
BCL2A1 Q16548 3/20 0.34
CNR1 P21554 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
THRB P10828 2/20 0.33
MAPT P10636 1/20 0.33
PTPRZ1 P23471 1/20 0.32
PDK1 Q15118 1/20 0.32
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL27703380 0.91 KCNK2 (0.35) GCGRGIPRKCNK2KCNK10CYP3A4
SCHEMBL4591672 0.89 CNR2 (0.38) CNR2PDK2PDK4CYP3A4BCL2A1
SCHEMBL4591651 0.89 CNR2 (0.41) CNR2PDK2PDK4CYP3A4BCL2A1
SCHEMBL4592465 0.87 PDK2 (0.41) CNR2PDK2PDK4CYP3A4BCL2A1
SCHEMBL4592510 0.85 CYP3A4 (0.39) CNR2PDK2PDK4CYP3A4BCL2A1
SCHEMBL4592378 0.85 CNR2 (0.39) CNR2PDK2PDK4CYP3A4BCL2A1
SCHEMBL4591735 0.84 CNR2 (0.38) CNR2PDK2PDK4CYP3A4BCL2A1
SCHEMBL4591635 0.84 CNR2 (0.38) CNR2PDK2PDK4CYP3A4BCL2A1
SCHEMBL4593014 0.84 PDK2 (0.43) CNR2PDK2PDK4CNR1THRB
SCHEMBL4592231 0.83 BCL2A1 (0.38) CNR2PDK2PDK4CYP3A4BCL2A1

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 12 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
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 GCGR 311/4885GIPR 700/4885CNR2 14/4885

“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.