SCHEMBL768119

SCHEMBL768119

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1nc2ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)cc2s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHRM2 P08172 1/20 0.34
CASR P41180 3/20 0.33
ABL1 P00519 5/20 0.33
DRD2 P14416 2/20 0.33
LCK P06239 1/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
MAPK1 P28482 1/20 0.31
DRD3 P35462 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
SCHEMBL768523 0.91 MCHR1 (0.37) MCHR1HDAC6CHRM2CASRABL1
SCHEMBL15061296 0.87 CHRM2 (0.49) CHRM2
SCHEMBL768562 0.87 MCHR1 (0.41) MCHR1HDAC6CHRM2DRD2ACHE
SCHEMBL769174 0.86 MCHR1 (0.41) MCHR1CHRM2DRD2ACHEDRD3
SCHEMBL768307 0.84 MCHR1 (0.42) MCHR1CHRM2DRD2ACHE
SCHEMBL768220 0.84 ACKR3 (0.35) MCHR1CHRM2DRD2DRD3
SCHEMBL768850 0.82 CHRM2 (0.41) MCHR1CHRM2DRD2ACHE
SCHEMBL768753 0.82 MCHR1 (0.42) MCHR1CHRM2ACHE
SCHEMBL768428 0.82 MCHR1 (0.36) MCHR1CHRM2DRD2
SCHEMBL768396 0.82 MCHR1 (0.36) MCHR1CHRM2DRD2BCHEACHE

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 239/4885HDAC6 407/4885CHRM2 2/4885

“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.