SCHEMBL768446

SCHEMBL768446

CNCCCN(C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(N(C(=O)O)c3ccccc3-c3ccccc3)CC2)cc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
CHRM2 P08172 2/20 0.37
DRD2 P14416 1/20 0.35
CCR5 P51681 2/20 0.34
CHRM3 P20309 1/20 0.34
C5AR1 P21730 1/20 0.34
OPRM1 P35372 2/20 0.33
BACE1 P56817 1/20 0.33
CHRM4 P08173 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
SLC2A1 P11166 2/20 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
SCHEMBL769263 0.94 MCHR1 (0.44) MCHR1CHRM2DRD2CCR5CHRM3
SCHEMBL768888 0.92 MCHR1 (0.44) MCHR1CHRM2DRD2CHRM3OPRM1
SCHEMBL769139 0.91 DRD2 (0.37) MCHR1CHRM2DRD2CCR5CHRM3
SCHEMBL768926 0.91 MCHR1 (0.37) MCHR1CHRM2DRD2CCR5OPRM1
SCHEMBL768428 0.89 MCHR1 (0.36) MCHR1CHRM2DRD2CCR5CHRM3
SCHEMBL768438 0.89 MCHR1 (0.44) MCHR1CHRM2DRD2CHRM3OPRM1
SCHEMBL769141 0.89 MCHR1 (0.44) MCHR1CHRM2DRD2CCR5CHRM3
Hydrochloric Acid SCHEMBL768545 0.88 CHRM4 (0.41) DRD2CHRM4
SCHEMBL768102 0.88 OPRM1 (0.41) MCHR1OPRM1SLC2A1
SCHEMBL769369 0.85 MCHR1 (0.35) MCHR1CHRM2DRD2CHRM3OPRM1

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 MCHR1 239/4885CHRM2 2/4885DRD2 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.