SCHEMBL4592307

SCHEMBL4592307

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
MAPT P10636 2/20 0.31
SCN5A Q14524 1/20 0.31
SCN2A Q99250 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
UTS2R Q9UKP6 2/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TP53 P04637 1/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4592314 1.00 ALOX5 (0.34) ALOX5EGFRERBB2MAPTSCN5A
SCHEMBL4592556 1.00 ALOX5 (0.34) ALOX5EGFRERBB2MAPTSCN5A
SCHEMBL4592957 0.89 KMT2A (0.40) ALOX5ALDH1A1LMNAUTS2RSMN1; SMN2
SCHEMBL4592159 0.89 KMT2A (0.40) ALOX5ALDH1A1LMNAUTS2RSMN1; SMN2
SCHEMBL4592162 0.89 KMT2A (0.40) ALOX5ALDH1A1LMNAUTS2RSMN1; SMN2
SCHEMBL4591956 0.86 UTS2R (0.34) ALOX5EGFRERBB2MAPTALDH1A1
SCHEMBL4591954 0.86 UTS2R (0.34) ALOX5EGFRERBB2MAPTALDH1A1
SCHEMBL4592323 0.86 UTS2R (0.34) ALOX5EGFRERBB2MAPTALDH1A1
SCHEMBL4592431 0.84 CNR2 (0.38) MAPTLMNACNR1CNR2TP53
SCHEMBL27723971 0.82 MAPT (0.33) EGFRERBB2MAPTALDH1A1LMNA

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 14 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
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 ALOX5 365/4885EGFR 207/4885ERBB2 265/4885

“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.