SCHEMBL769389

SCHEMBL769389

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc2c(c1)CCN(CCCN(C)C(=O)OC(C)(C)C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.36
SIRT5 Q9NXA8 1/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ACHE P22303 1/20 0.32
HRH3 Q9Y5N1 4/20 0.32
METAP2 P50579 1/20 0.32
CCR2 P41597 1/20 0.32
ADRB2 P07550 1/20 0.31
CHRM3 P20309 1/20 0.31
ACKR3 P25106 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL768843 0.90 HRH3 (0.34) DRD2DRD4DRD3ACHEHRH3
SCHEMBL380695 0.87 CHRM3 (0.45) CHRM3
SCHEMBL769390 0.86 TRPV4 (0.36) GPR119SIRT5DRD2DRD4DRD3
SCHEMBL768562 0.85 MCHR1 (0.41) GPR119SIRT5DRD2DRD3TRPV4
SCHEMBL769174 0.84 MCHR1 (0.41) GPR119SIRT5DRD2DRD3TRPV4
SCHEMBL768695 0.83 DRD2 (0.39) SIRT5DRD2DRD4DRD3KCNH2
SCHEMBL768056 0.83 SLC2A1 (0.36) DRD2DRD3TRPV4ACHEADRB2
SCHEMBL768421 0.83 OPRM1 (0.35) SIRT5
SCHEMBL768428 0.82 MCHR1 (0.36) GPR119SIRT5DRD2TRPV4ADRB2
SCHEMBL768307 0.82 MCHR1 (0.42) GPR119DRD2TRPV4ACHEADRB2

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 GPR119 354/4885SIRT5 674/4885DRD2 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.