SCHEMBL5049233

SCHEMBL5049233

CCc1ccc(N(C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)C(C)c2ccc(C)nc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX7 Q99572 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HSP90AA1 P07900 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
TLR9 Q9NR96 1/20 0.31
GRM5 P41594 3/20 0.31
PSMB5 P28074 1/20 0.31
PDK1 Q15118 3/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4592260 0.87 UTS2R (0.36) MEN1KMT2A
SCHEMBL4592262 0.87 UTS2R (0.36) MEN1KMT2A
SCHEMBL4592583 0.85 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4592582 0.85 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4592817 0.83 UTS2R (0.38)
SCHEMBL4592820 0.83 UTS2R (0.38)
SCHEMBL4591539 0.82 LMNA (0.34) CHRNA7SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4592887 0.82 QPCT (0.31) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL4591956 0.82 UTS2R (0.34) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4591954 0.82 UTS2R (0.34) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A

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 9 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
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN 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
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN 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 CHRNA7 280/4885ALDH1A1 3680/4885SMN1; SMN2 4617/4885

“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.