SCHEMBL768450

SCHEMBL768450

CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(c3cccc(-c4ccccc4)c3NC(=O)O)CC2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.36
ADRB2 P07550 5/20 0.35
CHRM3 P20309 5/20 0.35
MCHR1 Q99705 6/20 0.34
DRD4 P21917 1/20 0.34
HTR3A P46098 1/20 0.34
CHRM2 P08172 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MTTP P55157 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
MCHR2 Q969V1 1/20 0.33

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
SCHEMBL769370 0.92 HDAC6 (0.33) SLC2A1ADRB2CHRM3MCHR1DRD4
SCHEMBL768998 0.91 HTR2A (0.35) CHRM2
SCHEMBL768057 0.91 TRPV4 (0.37) SLC2A1ADRB2CHRM3MCHR1DRD4
SCHEMBL769264 0.89 CHRM2 (0.39) SLC2A1ADRB2CHRM3MCHR1CHRM2
SCHEMBL768889 0.87 CHRM2 (0.39) SLC2A1ADRB2CHRM3MCHR1CHRM2
SCHEMBL769140 0.86 CHRM2 (0.36) SLC2A1ADRB2CHRM3MCHR1CHRM2
SCHEMBL768103 0.85 HRH3 (0.41) SLC2A1CHRM3CHRM2
SCHEMBL768449 0.85 DRD2 (0.38) SLC2A1ADRB2CHRM3MCHR1HTR3A
SCHEMBL380962 0.85 SLC2A1 (0.52) SLC2A1ADRB2CHRM3CHRM2
SCHEMBL768439 0.84 CHRM2 (0.39) SLC2A1ADRB2CHRM3MCHR1CHRM2

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 SLC2A1 1942/4885ADRB2 47/4885CHRM3 1/4885

“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.