SCHEMBL4592448

SCHEMBL4592448

CCc1ccc(NCc2ccc3c(c2)ncn3C)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.85
RAB9A P51151 12/20 0.85
KDM4E B2RXH2 7/20 0.85
GAA P10253 5/20 0.85
SMN1; SMN2 Q16637 4/20 0.85
HSD17B10 Q99714 3/20 0.85
HPGD P15428 3/20 0.85
LMNA P02545 3/20 0.85
HTT P42858 3/20 0.85
ALOX15 P16050 1/20 0.85
ALDH1A1 P00352 5/20 0.67
GFER P55789 3/20 0.66
MAPT P10636 7/20 0.65
KMT2A Q03164 5/20 0.64
MEN1 O00255 3/20 0.64
POLB P06746 2/20 0.64
TDP1 Q9NUW8 2/20 0.63
TP53 P04637 2/20 0.60
SHMT2 P34897 1/20 0.53
THRB P10828 1/20 0.48

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
SCHEMBL764284 0.83 NPC1 (0.66) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL12953805 0.78 NPC1 (0.58) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL15213084 0.77 NPC1 (0.53) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL15201373 0.77 MAPT (0.60) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL784053 0.76 NPC1 (0.69) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL12047771 0.76 RAB9A (0.65) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL212384 0.76 NPC1 (0.71) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL12010963 0.75 KDM4E (0.76) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL20459538 0.74 NPC1 (0.59) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL19553580 0.73 NPC1 (0.54) NPC1RAB9AKDM4EGAASMN1; SMN2

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 10 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-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
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 2366/4885KDM4E 2972/4885

“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.