SCHEMBL768695

SCHEMBL768695

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.39
DRD3 P35462 8/20 0.38
CHRM4 P08173 2/20 0.38
OPRD1 P41143 1/20 0.37
DNMT1 P26358 1/20 0.37
DNMT3L Q9UJW3 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36
DRD4 P21917 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.35

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 0.92 MCHR1 (0.41) DRD2DRD3SIRT5
SCHEMBL769174 0.92 MCHR1 (0.41) DRD2DRD3SIRT5
SCHEMBL768428 0.90 MCHR1 (0.36) DRD2SIRT5
SCHEMBL768307 0.90 MCHR1 (0.42) DRD2
SCHEMBL768396 0.89 MCHR1 (0.36) DRD2DRD3SIRT5
SCHEMBL768715 0.89 MCHR1 (0.35) DRD2SIRT5
SCHEMBL768421 0.88 OPRM1 (0.35) OPRD1SIRT5
Hydrochloric Acid SCHEMBL768545 0.88 CHRM4 (0.41) DRD2DRD3CHRM4OPRD1DNMT1
SCHEMBL768850 0.88 CHRM2 (0.41) DRD2OPRD1
SCHEMBL380394 0.85 CHRM2 (0.49)

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 294/4885DRD3 464/4885CHRM4 13/4885

“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.