SCHEMBL4592886

SCHEMBL4592886

CCc1ccc(N(Cc2ccc3c(c2)ncn3C)C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.40
RAB9A P51151 11/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 3/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
GFER P55789 2/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NAMPT P43490 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
SCHEMBL12047790 0.87 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL4593086 0.84 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL4592978 0.82 NPC1 (0.34) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL4600776 0.82 NPC1 (0.33) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL4592578 0.82 MAPT (0.38) NPC1RAB9ASMN1; SMN2MAPTTHRB
SCHEMBL4591651 0.82 CNR2 (0.41) SMN1; SMN2LMNAMAPTALDH1A1KMT2A
SCHEMBL4592454 0.81 CNR2 (0.40) HPGDMAPTTDP1THRBPOLB
SCHEMBL4593113 0.81 MAPT (0.37) NPC1RAB9AMAPTTHRBHDAC1
SCHEMBL4592198 0.80 MAPT (0.37) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL4592221 0.80 BCL2A1 (0.40) MAPTKMT2ATHRBHDAC1

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 12 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
EP-1739078-A1 Antagonists of C5a-receptor Jerini AG (DE) 2007-01-03 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 NPC1 3793/4885RAB9A 2366/4885SMN1; 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.