SCHEMBL5400966

SCHEMBL5400966

CC(C)NCCNC(=O)CC(NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.51
ROCK1 Q13464 3/20 0.51
CASR P41180 2/20 0.50
UTS2R Q9UKP6 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL5403645 0.85 ROCK2 (0.54) ROCK2ROCK1CASRUTS2RMEN1
SCHEMBL5424871 0.84 UTS2R (0.62) ROCK2ROCK1CASRUTS2RMEN1
SCHEMBL5417277 0.83 ROCK2 (0.47) ROCK2ROCK1CASRUTS2RMEN1
SCHEMBL5424769 0.83 UTS2R (0.52) ROCK2ROCK1CASRUTS2RMEN1
SCHEMBL5414392 0.82 HTR3A (0.57) ROCK2ROCK1CASRMEN1KMT2A
SCHEMBL5406811 0.82 HTR3A (0.57) ROCK2ROCK1CASRMEN1KMT2A
SCHEMBL5418272 0.82 HTR3A (0.57) ROCK2ROCK1CASRMEN1KMT2A
SCHEMBL5414697 0.80 HTR3A (0.64) ROCK2ROCK1MEN1KMT2A
SCHEMBL5409846 0.79 ROCK2 (0.64) ROCK2ROCK1CASRUTS2RMEN1
SCHEMBL5418665 0.78 HTR3A (0.53) UTS2RMEN1KMT2ANPC1RAB9A

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 ROCK2 3542/4885ROCK1 3815/4885CASR 1408/4885

“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.