SCHEMBL4592541

SCHEMBL4592541

CCc1ccc(N(C(=O)Nc2c(C(C)(C)C)ccc(N)c2C)[C@@H](C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CNR2 P34972 2/20 0.32
BCL2A1 Q16548 2/20 0.31
BID P55957 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDH1 O75874 1/20 0.31
S1PR3 Q99500 1/20 0.31
UTS2R Q9UKP6 3/20 0.31
ADRB1 P08588 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
AGTR1 P30556 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4592542 1.00 CYP2C9 (0.33) CYP2C9CYP2C19MEN1ALDH1A1LMNA
SCHEMBL12047727 0.86 HPGD (0.33) CYP2C9CYP2C19ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4592262 0.78 UTS2R (0.36) CYP2C9CYP2C19MEN1POLBKMT2A
SCHEMBL4592260 0.78 UTS2R (0.36) CYP2C9CYP2C19MEN1POLBKMT2A
SCHEMBL4592820 0.73 UTS2R (0.38) BCL2A1BIDUTS2RS1PR1
SCHEMBL4592817 0.73 UTS2R (0.38) BCL2A1BIDUTS2RS1PR1
SCHEMBL4592353 0.72 UTS2R (0.34) CYP2C9CYP2C19BCL2A1BIDUTS2R
SCHEMBL4592462 0.72 UTS2R (0.37) BCL2A1BIDL3MBTL1UTS2R
SCHEMBL4592463 0.72 UTS2R (0.37) BCL2A1BIDL3MBTL1UTS2R
SCHEMBL14620538 0.72 CYP2C9 (0.34) CYP2C9CYP2C19LMNACNR2BCL2A1

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 11 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
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 CYP2C9 735/4885CYP2C19 1364/4885MEN1 3390/4885

“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.