SCHEMBL4394030

SCHEMBL4394030

CCCCOc1ccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.59
EPHX2 P34913 1/20 0.48
FAAH O00519 7/20 0.47
NPY5R Q15761 2/20 0.47
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LTA4H P09960 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4396887 0.88 CASR (0.65) CASRNPY5RLTA4H
SCHEMBL4394346 0.87 CASR (0.67) CASRNPY5RGAAMAPTHTT
SCHEMBL4396948 0.83 CASR (0.64) CASRS1PR3
SCHEMBL4397686 0.79 CASR (0.60) CASR
SCHEMBL4400563 0.77 CASR (0.69) CASRMAPTHTT
SCHEMBL3638348 0.77 CASR (0.76) CASRMAPTTSHRHTT
SCHEMBL10888065 0.75 HDAC6 (0.63) FAAHMAPTTSHR
SCHEMBL4399207 0.75 CASR (0.82) CASRL3MBTL1MAPT
Hydrochloric Acid SCHEMBL4395794 0.74 CASR (0.65) CASRL3MBTL1MAPTHTT
SCHEMBL4390118 0.74 CASR (1.00) CASR

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 2192/4885EPHX2 881/4885FAAH 2421/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885EPHX2 2170/4885FAAH 4240/4885

“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.