SCHEMBL767544

SCHEMBL767544

CNCCCN(C)C(=O)c1ccc(NCCOCCC(=O)N(C)CCN2CCC(N(C(=O)O)c3ccccc3-c3ccccc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
MCHR1 Q99705 1/20 0.41
DRD2 P14416 2/20 0.35
CHRM3 P20309 4/20 0.34
ADRB2 P07550 3/20 0.34
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
ACHE P22303 1/20 0.33
CHRM4 P08173 1/20 0.33
CCR5 P51681 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 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
SCHEMBL769141 0.93 MCHR1 (0.44) CHRM2MCHR1DRD2CHRM3ADRB2
SCHEMBL769263 0.91 MCHR1 (0.44) CHRM2MCHR1DRD2CHRM3ADRB2
SCHEMBL768481 0.90 CHRM2 (0.39) CHRM2MCHR1DRD2CHRM3ADRB2
SCHEMBL768888 0.90 MCHR1 (0.44) CHRM2MCHR1DRD2CHRM3ADRB2
SCHEMBL768438 0.86 MCHR1 (0.44) CHRM2MCHR1DRD2CHRM3ADRB2
SCHEMBL769139 0.85 DRD2 (0.37) CHRM2MCHR1DRD2CHRM3ADRB2
SCHEMBL768446 0.85 MCHR1 (0.38) CHRM2MCHR1DRD2CHRM3CHRM4
SCHEMBL381538 0.85 CHRM2 (0.58) CHRM2CHRM3ADRB2
SCHEMBL767545 0.84 CHRM2 (0.39) CHRM2MCHR1CHRM3ADRB2CARM1
SCHEMBL768707 0.84 MCHR1 (0.44) CHRM2MCHR1DRD2CHRM3ADRB2

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 2/4885MCHR1 239/4885DRD2 294/4885

“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.