SCHEMBL4394353

SCHEMBL4394353

CC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)NC(C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.57
POLB P06746 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
MAPT P10636 1/20 0.47
CCR5 P51681 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR139 Q6DWJ6 1/20 0.45
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP14 P50281 1/20 0.44
CTSB P07858 1/20 0.44
HSD17B10 Q99714 1/20 0.43
EPHX2 P34913 2/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
SMPD1 P17405 1/20 0.43

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
SCHEMBL4394350 0.79 CASR (0.53) CASRPOLBMEN1KMT2AEPHX2
SCHEMBL4396948 0.79 CASR (0.64) CASRCCR5
SCHEMBL4392153 0.78 CCR5 (0.54) CASRCCR5KMT2AEPHX2LMNA
SCHEMBL4396887 0.77 CASR (0.65) CASR
SCHEMBL4394346 0.76 CASR (0.67) CASRMAPTMEN1KMT2ALMNA
SCHEMBL4396914 0.76 CASR (0.56) CASRMEN1KMT2A
SCHEMBL4397686 0.75 CASR (0.60) CASRPOLBCCR5LMNACYP1A2
SCHEMBL4399207 0.75 CASR (0.82) CASRMAPTKMT2AHSD17B10
SCHEMBL29221808 0.75 PTGES (0.59) MAPTMEN1KMT2AEPHX2LMNA
SCHEMBL4398663 0.74 CASR (0.60) CASRPOLBMAPTCCR5MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 US disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 US 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 (2 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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 CASR 2192/4885POLB 2916/4885CTDSP1 1819/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885POLB 2623/4885CTDSP1 3004/4885

“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.