SCHEMBL768056

SCHEMBL768056

COc1cc(NCCCCCC(=O)N(C)CCN2CCC(N(C(=O)O)c3ccccc3-c3ccccc3)CC2)ccc1C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.36
DRD2 P14416 2/20 0.36
ADRB2 P07550 3/20 0.35
CHRM3 P20309 3/20 0.35
BCHE P06276 1/20 0.34
CHRM2 P08172 1/20 0.34
ACHE P22303 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
MTTP P55157 1/20 0.34
MCHR1 Q99705 3/20 0.34
HTR7 P34969 1/20 0.33
GSK3A P49840 2/20 0.33
SRC P12931 1/20 0.33
SYK P43405 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
SCHEMBL768449 0.91 DRD2 (0.38) SLC2A1DRD2ADRB2CHRM3BCHE
SCHEMBL768530 0.90 ADRB2 (0.36) SLC2A1DRD2ADRB2CHRM3DRD3
SCHEMBL768562 0.89 MCHR1 (0.41) SLC2A1DRD2ADRB2CHRM3CHRM2
SCHEMBL769174 0.89 MCHR1 (0.41) DRD2ADRB2CHRM3CHRM2ACHE
SCHEMBL768307 0.87 MCHR1 (0.42) DRD2ADRB2CHRM3CHRM2ACHE
SCHEMBL768396 0.87 MCHR1 (0.36) SLC2A1DRD2ADRB2CHRM3BCHE
SCHEMBL380349 0.86 SLC2A1 (0.49) SLC2A1ADRB2CHRM3CHRM2
SCHEMBL768057 0.86 TRPV4 (0.37) SLC2A1ADRB2CHRM3BCHECHRM2
SCHEMBL768428 0.86 MCHR1 (0.36) DRD2ADRB2CHRM3CHRM2TRPV4
SCHEMBL768715 0.85 MCHR1 (0.35) DRD2ADRB2CHRM3CHRM2TRPV4

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 1942/4885DRD2 294/4885ADRB2 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.