SCHEMBL4592628

SCHEMBL4592628

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.38
CNR1 P21554 3/20 0.38
PDK1 Q15118 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL4592219 0.94 MAPT (0.37) CNR2POLBMAPTNR1H4CYP3A4
SCHEMBL4592510 0.93 CYP3A4 (0.39) CNR2CNR1PDK1POLBMAPT
SCHEMBL4592138 0.93 CNR2 (0.34) CNR2CNR1PDK1POLBMAPT
SCHEMBL4592454 0.92 CNR2 (0.40) CNR2CNR1PDK1POLBMAPT
SCHEMBL4592269 0.91 PDK1 (0.38) CNR2CNR1PDK1MAPTLMNA
SCHEMBL4592518 0.91 CYP3A4 (0.34) CNR2CNR1POLBMAPTNR1H4
SCHEMBL4592145 0.90 BCL2A1 (0.41) PDK1POLBMAPTCYP3A4TP53
SCHEMBL14620537 0.89 CYP3A4 (0.33) CNR2MAPTNR1H4CYP3A4THRB
SCHEMBL4592643 0.89 PDK1 (0.40) PDK1MAPTLMNATP53
SCHEMBL4591584 0.89 CNR2 (0.37) CNR2CNR1MAPTCYP3A4TP53

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 CNR2 14/4885CNR1 18/4885PDK1 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.