SCHEMBL4592583

SCHEMBL4592583

CCc1ccc(N(C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)C(C)c2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
P2RY14 Q15391 1/20 0.32
MAPT P10636 1/20 0.32
CETP P11597 1/20 0.32
ROCK1 Q13464 1/20 0.32
KCNQ2 O43526 1/20 0.32
HTT P42858 1/20 0.32
SLC6A3 Q01959 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
MDM4 O15151 1/20 0.31
MDM2 Q00987 1/20 0.31
ADRB1 P08588 1/20 0.31
CNR1 P21554 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
SCHEMBL4592582 1.00 ALDH1A1 (0.40) ALDH1A1LMNACACNA1GCACNA1HCACNA1I
SCHEMBL4591988 0.94 EGFR (0.33) ALDH1A1LMNACACNA1HKMT2AMEN1
SCHEMBL4591985 0.94 EGFR (0.33) ALDH1A1LMNACACNA1HKMT2AMEN1
SCHEMBL4592260 0.92 UTS2R (0.36) KMT2AMEN1POLBS1PR3
SCHEMBL4592262 0.92 UTS2R (0.36) KMT2AMEN1POLBS1PR3
SCHEMBL4592817 0.88 UTS2R (0.38)
SCHEMBL4592820 0.88 UTS2R (0.38)
SCHEMBL4592462 0.86 UTS2R (0.37)
SCHEMBL4592463 0.86 UTS2R (0.37)
SCHEMBL4592353 0.85 UTS2R (0.34) ADRB1

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 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-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 ALDH1A1 3680/4885LMNA 4716/4885CACNA1G 2045/4885

“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.