SCHEMBL5049237

SCHEMBL5049237

CCNc1ccc(CC)c(NC(=O)N(Cc2ccc(OC)cc2)c2ccc(C(C)C)cc2)c1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.39
BCL2A1 Q16548 2/20 0.39
C5AR1 P21730 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR183 P32249 1/20 0.38
ADGRF1 Q5T601 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RNF4 P78317 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
TSPO P30536 1/20 0.35

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
SCHEMBL4592800 0.92 BMP1 (0.37) BMP1BCL2A1C5AR1RAB9ANPC1
SCHEMBL4592357 0.91 C5AR1 (0.37) BMP1BCL2A1C5AR1RAB9ANPC1
SCHEMBL5050220 0.88 BCL2A1 (0.43) BMP1BCL2A1C5AR1RAB9ANPC1
SCHEMBL4592440 0.87 BCL2A1 (0.40) BMP1BCL2A1C5AR1RAB9ANPC1
SCHEMBL12060567 0.85 BMP1 (0.39) BMP1BCL2A1C5AR1RAB9ANPC1
SCHEMBL5051766 0.85 POLB (0.45) BMP1BCL2A1C5AR1RAB9ANPC1
SCHEMBL12048061 0.84 ALDH1A1 (0.45) BMP1BCL2A1C5AR1RAB9ANPC1
SCHEMBL4592821 0.80 C5AR1 (0.38) BMP1BCL2A1C5AR1RAB9ANPC1
SCHEMBL4592189 0.80 C5AR1 (0.37) BMP1BCL2A1C5AR1RAB9ANPC1
SCHEMBL4592567 0.79 C5AR1 (0.38) BMP1BCL2A1C5AR1RAB9ANPC1

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 7 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 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 BMP1 3997/4885BCL2A1 4036/4885C5AR1 3/4885

“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.