SCHEMBL768363

SCHEMBL768363

CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(c3cccc(-c4ccccc4)c3NC(=O)O)CC2)nn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
CHRM2 P08172 1/20 0.32
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
DRD2 P14416 3/20 0.31
NPC1 O15118 1/20 0.31
HTR1A P08908 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
SLC2A1 P11166 2/20 0.31
MCHR1 Q99705 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
HTR7 P34969 2/20 0.31
HTR2A P28223 1/20 0.30
KCNH2 Q12809 1/20 0.30
PRCP P42785 1/20 0.30
SOAT2 O75908 1/20 0.30
SOAT1 P35610 1/20 0.30

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
SCHEMBL768103 0.88 HRH3 (0.41) HRH3CHRM2DRD2NPC1HTR1A
SCHEMBL769264 0.87 CHRM2 (0.39) HRH3CHRM2DRD2NPC1HTR1A
SCHEMBL768889 0.86 CHRM2 (0.39) HRH3CHRM2SLC2A1MCHR1CARM1
SCHEMBL768362 0.84 MCHR1 (0.36) CHRM2BCHEACHEDRD2SLC2A1
SCHEMBL769370 0.84 HDAC6 (0.33) HRH3CHRM2DRD2NPC1HTR1A
SCHEMBL768358 0.84 HDAC6 (0.38) HRH3CHRM2SLC2A1MCHR1CARM1
SCHEMBL768998 0.84 HTR2A (0.35) HRH3CHRM2HTR1AHTR7HTR2A
SCHEMBL380311 0.83 CHRM2 (0.51) CHRM2SLC2A1
SCHEMBL768708 0.83 CHRM2 (0.39) HRH3CHRM2SLC2A1MCHR1CARM1
SCHEMBL768450 0.82 SLC2A1 (0.36) CHRM2BCHEACHESLC2A1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 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 (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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 HRH3 96/4885CHRM2 2/4885BCHE 1317/4885

“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.