SCHEMBL4592809

SCHEMBL4592809

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(Cc1ccccc1OC)c1ccc(C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGES O14684 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CETP P11597 1/20 0.34
LPAR1 Q92633 1/20 0.33
P2RY1 P47900 1/20 0.33
TSPO P30536 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RCE1 Q9Y256 1/20 0.33
BCL2A1 Q16548 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
SCHEMBL4591755 0.96 KDM4E (0.33) MEN1KMT2ACRHBPCRHR2KDM4E
SCHEMBL5049244 0.88 MEN1 (0.37) MEN1KMT2ACRHBPCRHR2KDM4E
SCHEMBL4592269 0.85 PDK1 (0.38) MAPTRAB9A
SCHEMBL4592145 0.84 BCL2A1 (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4592456 0.84 PTK2 (0.35) MEN1KMT2AKDM4ERAB9ACETP
SCHEMBL4592219 0.82 MAPT (0.37) MAPTNPC1RAB9AALDH1A1
SCHEMBL4593219 0.82 OXTR (0.32) MAPT
SCHEMBL4592510 0.82 CYP3A4 (0.39) MEN1KMT2AMAPTRAB9ABCL2A1
SCHEMBL4592628 0.81 CNR2 (0.38) MAPT
SCHEMBL4592247 0.80 OXTR (0.42) MEN1KMT2AMAPTNPSR1RAB9A

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 10 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
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 MEN1 3390/4885KMT2A 2949/4885CRHBP 2089/4885

“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.