SCHEMBL4592219

SCHEMBL4592219

CCc1ccc(CN(C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.37
CYP3A4 P08684 1/20 0.36
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CNR2 P34972 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
C5AR1 P21730 2/20 0.33
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
NLRP3 Q96P20 1/20 0.32
GPR183 P32249 1/20 0.32
ADGRF1 Q5T601 1/20 0.32
GPR65 Q8IYL9 1/20 0.32

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
SCHEMBL4592510 0.95 CYP3A4 (0.39) MAPTTHRBCYP3A4EGFRERBB2
SCHEMBL4592628 0.94 CNR2 (0.38) MAPTTHRBCYP3A4NR1H4CNR2
SCHEMBL4592269 0.93 PDK1 (0.38) MAPTRAB9ACNR2SMN1; SMN2PDK2
SCHEMBL4592578 0.93 MAPT (0.38) MAPTTHRBCYP3A4NPC1RAB9A
SCHEMBL4592145 0.92 BCL2A1 (0.41) MAPTCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL4592138 0.91 CNR2 (0.34) MAPTTHRBCYP3A4NR1H4CNR2
SCHEMBL4591651 0.91 CNR2 (0.41) MAPTTHRBCYP3A4CNR2SMN1; SMN2
SCHEMBL4592643 0.91 PDK1 (0.40) MAPTPDK2PDK4TP53
SCHEMBL4591584 0.91 CNR2 (0.37) MAPTCYP3A4CNR2TP53
SCHEMBL14620537 0.91 CYP3A4 (0.33) MAPTTHRBCYP3A4EGFRERBB2

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 MAPT 4871/4885THRB 234/4885CYP3A4 1650/4885

“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.