SCHEMBL768428

SCHEMBL768428

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc(C(=O)N(CCCN(C)C(=O)OC(C)(C)C)C2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
CHRM2 P08172 1/20 0.35
DRD2 P14416 1/20 0.34
CCR5 P51681 2/20 0.34
SIRT5 Q9NXA8 1/20 0.33
USP30 Q70CQ3 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
C5AR1 P21730 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ADRB2 P07550 3/20 0.33
CHRM3 P20309 3/20 0.33
BACE1 P56817 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 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
SCHEMBL768562 0.95 MCHR1 (0.41) MCHR1CHRM2DRD2CCR5SIRT5
SCHEMBL769174 0.94 MCHR1 (0.41) MCHR1CHRM2DRD2CCR5SIRT5
SCHEMBL768307 0.92 MCHR1 (0.42) MCHR1CHRM2DRD2CCR5USP30
SCHEMBL768396 0.92 MCHR1 (0.36) MCHR1CHRM2DRD2CCR5SIRT5
SCHEMBL768715 0.91 MCHR1 (0.35) MCHR1CHRM2DRD2CCR5SIRT5
SCHEMBL768850 0.90 CHRM2 (0.41) MCHR1CHRM2DRD2CCR5USP30
SCHEMBL768695 0.90 DRD2 (0.39) DRD2SIRT5
SCHEMBL768446 0.89 MCHR1 (0.38) MCHR1CHRM2DRD2CCR5C5AR1
SCHEMBL768481 0.87 CHRM2 (0.39) MCHR1CHRM2DRD2CCR5USP30
SCHEMBL768421 0.87 OPRM1 (0.35) CCR5SIRT5BACE1

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.