SCHEMBL2941083

SCHEMBL2941083

CNC(c1cc[n+](C2CCCCC2)cc1)N1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 5/20 0.34
EPHX2 P34913 5/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
EPHX1 P07099 1/20 0.32
CHRM4 P08173 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CACNA1B Q00975 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
SCHEMBL2940948 0.85 IGF1R (0.40)
SCHEMBL2942334 0.84 LIPE (0.33) LIPEEPHX2POLBL3MBTL1SLC6A4
SCHEMBL2936315 0.83 SLC6A4 (0.34) LIPEEPHX2POLBL3MBTL1SLC6A4
SCHEMBL2940215 0.69 IGF1R (0.45)
SCHEMBL2937621 0.69 LIPE (0.42) LIPEEPHX2CHRM4
SCHEMBL2939428 0.69 ACACB (0.38)
SCHEMBL2939396 0.68 KMT2A (0.47) LIPESLC6A4CHRM4ALDH1A1
SCHEMBL2934005 0.66 LTA4H (0.38) LIPESLC6A4SLC6A3CHRM4
SCHEMBL2936074 0.63 AOC1 (0.41) EPHX2EPHX1HCRTR1HCRTR2
SCHEMBL2936964 0.63 IGF1R (0.42) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 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-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 LIPE 2214/4885EPHX2 3969/4885POLB 1465/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA LIPE 3248/4885EPHX2 3424/4885POLB 1739/4885

“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.