SCHEMBL4592661

SCHEMBL4592661

CCc1ccc(N(Cc2ccc(C)nc2)C(=O)Nc2c(CC)ccc(N)c2CC)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
QPCT Q16769 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DEGS1 O15121 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAP4K1 Q92918 1/20 0.31

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
SCHEMBL4592571 0.86 CNR2 (0.38) MAPT
SCHEMBL4593113 0.85 MAPT (0.37) PDK1HDAC1HDAC3HDAC2MAPT
SCHEMBL4591539 0.79 LMNA (0.34) PDK1HDAC1HDAC3HDAC2MAPT
SCHEMBL27723965 0.78 MEN1 (0.33) EPHX2
SCHEMBL4592431 0.78 CNR2 (0.38) MAPTTHRB
SCHEMBL4592328 0.77 PDK1 (0.33) PDK1HDAC1HDAC3HDAC2MAPT
SCHEMBL12060560 0.77 MAPT (0.36) PDK1MAPTTHRBNPC1RAB9A
SCHEMBL4592549 0.76 CNR2 (0.39) MAPTTHRBEPHX2SMN1; SMN2
SCHEMBL12047699 0.75 MAPT (0.35) MAPTTHRBQPCTSMN1; SMN2
SCHEMBL4592138 0.75 CNR2 (0.34) PDK1MAPTTHRB

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 13 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
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
CN-101189209-A C5a receptor antagonists JERINI AG (DE) 2008-05-28 CN 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 PDK1 4787/4885HDAC1 2567/4885HDAC3 717/4885

“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.