SCHEMBL5424769

SCHEMBL5424769

CCN(CC)CCNC(=O)CC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.52
ROCK2 O75116 5/20 0.49
ROCK1 Q13464 3/20 0.49
CASR P41180 1/20 0.48
MCHR1 Q99705 5/20 0.47
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NFKB1 P19838 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5424871 0.89 UTS2R (0.62) UTS2RROCK2ROCK1CASRMCHR1
SCHEMBL5403645 0.83 ROCK2 (0.54) UTS2RROCK2ROCK1CASRHTT
SCHEMBL5400966 0.83 ROCK2 (0.51) UTS2RROCK2ROCK1CASRHTT
SCHEMBL5417277 0.79 ROCK2 (0.47) UTS2RROCK2ROCK1CASRMEN1
SCHEMBL5406811 0.78 HTR3A (0.57) ROCK2ROCK1CASRMCHR1MEN1
SCHEMBL5418272 0.78 HTR3A (0.57) ROCK2ROCK1CASRMCHR1MEN1
SCHEMBL5414392 0.78 HTR3A (0.57) ROCK2ROCK1CASRMCHR1MEN1
SCHEMBL8296137 0.78 ROCK2 (0.49) UTS2RROCK2ROCK1CASRMCHR1
SCHEMBL5409846 0.78 ROCK2 (0.64) UTS2RROCK2ROCK1CASRMEN1
SCHEMBL5407052 0.77 LMNA (0.56) MCHR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US claimed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US claimed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 UTS2R 855/4885ROCK2 3542/4885ROCK1 3815/4885

“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.