SCHEMBL4591665

SCHEMBL4591665

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(Cc1ccc(Cl)cc1)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
TRPV1 Q8NER1 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33
ROCK1 Q13464 1/20 0.33
NCEH1 Q6PIU2 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
SCHEMBL4592784 0.86 MAPT (0.35) MAPTTHRBALDH1A1KDM4ETDP1
SCHEMBL4592614 0.86 MAPT (0.38) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL4591651 0.81 CNR2 (0.41) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL4592465 0.80 PDK2 (0.41) MAPTTHRBALDH1A1TDP1LMNA
SCHEMBL4591536 0.78 MAPT (0.40) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL4592378 0.78 CNR2 (0.39) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL4592510 0.78 CYP3A4 (0.39) MAPTTHRBMEN1KMT2ARAB9A
SCHEMBL27703382 0.78 MAPT (0.31) MAPTNPSR1
SCHEMBL4593014 0.77 PDK2 (0.43) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL4591635 0.77 CNR2 (0.38) MAPTTHRBALDH1A1MEN1KMT2A

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-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 MAPT 4871/4885THRB 234/4885SIGMAR1 139/4885

“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.