SCHEMBL5049244

SCHEMBL5049244

CCc1ccc(N)c(CC)c1NC(=O)N(Cc1ccccc1OC)c1ccc(C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RCE1 Q9Y256 1/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
PTGES O14684 1/20 0.34
TSPO P30536 2/20 0.34
OPRK1 P41145 2/20 0.34
XBP1 P17861 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 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 0.93 KDM4E (0.33) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL12047724 0.89 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL4592809 0.88 MEN1 (0.35) MEN1CRHBPKMT2ACRHR2HPGD
SCHEMBL4592440 0.84 BCL2A1 (0.40) MEN1KMT2AALDH1A1TSPOSMN1; SMN2
SCHEMBL4592692 0.83 PTK2 (0.37) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4592431 0.81 CNR2 (0.38) MAPT
SCHEMBL14620646 0.81 OXTR (0.33)
SCHEMBL4592839 0.80 OXTR (0.44) MEN1KMT2ASMN1; SMN2
SCHEMBL4592616 0.80 RAB9A (0.40) MEN1CRHBPKMT2ACRHR2ALDH1A1
SCHEMBL4591943 0.78 PDK2 (0.38) MAPT

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 8 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-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 EP 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 3390/4885CRHBP 2089/4885KMT2A 2949/4885

“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.