SCHEMBL768447

SCHEMBL768447

CNCCCN(C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(c3cccc(-c4ccccc4)c3NC(=O)O)CC2)cc1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MCHR1 Q99705 1/20 0.34
DRD2 P14416 2/20 0.33
NPC1 O15118 1/20 0.33
HTR1A P08908 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
SLC2A1 P11166 2/20 0.32
CCR2 P41597 1/20 0.32
PRCP P42785 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
HTR2A P28223 1/20 0.31
ADRB2 P07550 1/20 0.31
CHRM3 P20309 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
C5AR1 P21730 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
SCHEMBL769264 0.94 CHRM2 (0.39) CHRM2HRH3MCHR1DRD2NPC1
SCHEMBL768889 0.92 CHRM2 (0.39) CHRM2HRH3MCHR1SLC2A1CCR2
SCHEMBL768927 0.90 DRD2 (0.36) CHRM2HRH3MCHR1DRD2NPC1
SCHEMBL769140 0.90 CHRM2 (0.36) CHRM2HRH3MCHR1DRD2NPC1
Hydrochloric Acid SCHEMBL768546 0.89 CCR2 (0.42) DRD2HTR1ACCR2
SCHEMBL768439 0.89 CHRM2 (0.39) CHRM2HRH3MCHR1SLC2A1CCR2
SCHEMBL768103 0.88 HRH3 (0.41) CHRM2HRH3DRD2NPC1HTR1A
SCHEMBL769370 0.85 HDAC6 (0.33) CHRM2HRH3MCHR1DRD2NPC1
SCHEMBL767545 0.85 CHRM2 (0.39) CHRM2HRH3MCHR1HDAC6ADRB2
SCHEMBL768998 0.85 HTR2A (0.35) CHRM2HRH3HTR1ACCR2HTR2A

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 CHRM2 2/4885HRH3 96/4885MCHR1 239/4885

“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.