SCHEMBL2934005

SCHEMBL2934005

CC1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1C(OCCN1CCCC1)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.38
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
MCHR1 Q99705 2/20 0.34
LIPE Q05469 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 2/20 0.33
ABL1 P00519 1/20 0.33
CHRM4 P08173 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CCR5 P51681 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL2940224 0.87 IGF1R (0.39) LTA4HHTR2AHTR2CHTR2B
SCHEMBL2940999 0.86 IGF1R (0.42) LTA4H
SCHEMBL2938065 0.82 LTA4H (0.39) LTA4HSLC6A4SLC6A3MCHR1HRH3
SCHEMBL2940053 0.81 LTA4H (0.40) LTA4HSLC6A4SLC6A3MCHR1HRH3
SCHEMBL2939396 0.74 KMT2A (0.47) SLC6A4LIPECHRM4
SCHEMBL2941134 0.74 IGF1R (0.41) LTA4HMCHR1KCNH2ABL1HTR2A
SCHEMBL3733356 0.71 TLR7 (0.43) SLC6A4SLC6A3MCHR1KCNH2ABL1
SCHEMBL2937621 0.70 LIPE (0.42) LTA4HLIPECHRM4CCR5
SCHEMBL2939864 0.69 IGF1R (0.52) LTA4H
SCHEMBL2933538 0.68 IGF1R (0.39) LTA4HMCHR1HRH3KCNH2HTR2A

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 LTA4H 4311/4885SLC6A4 4804/4885SLC6A3 4767/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA LTA4H 3825/4885SLC6A4 4746/4885SLC6A3 4701/4885

“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.