SCHEMBL768449

SCHEMBL768449

CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(N(C(=O)O)c3ccccc3-c3ccccc3)CC2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
SLC2A1 P11166 2/20 0.38
ADRB2 P07550 4/20 0.36
CHRM3 P20309 4/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
MCHR1 Q99705 4/20 0.35
CHRM2 P08172 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MTTP P55157 1/20 0.34
HTR3A P46098 1/20 0.34

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
SCHEMBL769369 0.92 MCHR1 (0.35) DRD2SLC2A1ADRB2CHRM3OPRM1
SCHEMBL768997 0.92 AVPR2 (0.35) SLC2A1OPRM1MCHR1CHRM2
SCHEMBL768056 0.91 SLC2A1 (0.36) DRD2SLC2A1ADRB2CHRM3OPRM1
SCHEMBL769263 0.88 MCHR1 (0.44) DRD2SLC2A1ADRB2CHRM3OPRM1
SCHEMBL768888 0.87 MCHR1 (0.44) DRD2SLC2A1ADRB2CHRM3OPRM1
SCHEMBL380962 0.85 SLC2A1 (0.52) SLC2A1ADRB2CHRM3CHRM2
SCHEMBL768450 0.85 SLC2A1 (0.36) SLC2A1ADRB2CHRM3MCHR1CHRM2
SCHEMBL769139 0.85 DRD2 (0.37) DRD2SLC2A1ADRB2CHRM3OPRM1
SCHEMBL768102 0.85 OPRM1 (0.41) SLC2A1OPRM1MCHR1
SCHEMBL768446 0.83 MCHR1 (0.38) DRD2SLC2A1CHRM3OPRM1MCHR1

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 DRD2 294/4885SLC2A1 1942/4885ADRB2 47/4885

“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.