SCHEMBL4592957

SCHEMBL4592957

CCc1ccc(N)c(CC)c1NC(=O)N(c1ccc(C(C)C)cc1)[C@@H](C)c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.36
UTS2R Q9UKP6 4/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
TP53 P04637 3/20 0.34
POLB P06746 1/20 0.34
OXTR P30559 1/20 0.34
BMP1 P13497 2/20 0.33
LMNA P02545 1/20 0.33
HDAC2 Q92769 1/20 0.33
BID P55957 1/20 0.33
BCL2A1 Q16548 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
SCHEMBL4592159 1.00 KMT2A (0.40) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4592162 1.00 KMT2A (0.40) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4592314 0.89 ALOX5 (0.34) RAB9ANPC1ALDH1A1SMN1; SMN2ALOX5
SCHEMBL4592307 0.89 ALOX5 (0.34) RAB9ANPC1ALDH1A1SMN1; SMN2ALOX5
SCHEMBL4592556 0.89 ALOX5 (0.34) RAB9ANPC1ALDH1A1SMN1; SMN2ALOX5
SCHEMBL5049341 0.87 MEN1 (0.39) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL5049344 0.87 MEN1 (0.39) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL5050236 0.87 MEN1 (0.39) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4592440 0.85 BCL2A1 (0.40) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4592826 0.82 UTS2R (0.43) ALDH1A1UTS2RBIDBCL2A1

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-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 claimed
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
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 KMT2A 2949/4885MEN1 3390/4885RAB9A 2366/4885

“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.