SCHEMBL768949

SCHEMBL768949

CNCCCN(C)C(=O)c1ccc(N2CCC(CCC(=O)N(C)CCN3CCC(c4cccc(-c5ccccc5)c4NC(=O)O)CC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
MCHR1 Q99705 1/20 0.38
ACHE P22303 1/20 0.36
DRD2 P14416 5/20 0.35
HTR2A P28223 5/20 0.35
DRD3 P35462 5/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL769264 0.85 CHRM2 (0.39) CHRM2MCHR1DRD2HRH3
SCHEMBL768708 0.85 CHRM2 (0.39) CHRM2MCHR1HRH3
SCHEMBL768889 0.84 CHRM2 (0.39) CHRM2MCHR1HRH3
SCHEMBL768948 0.84 MCHR1 (0.43) CHRM2MCHR1ACHE
SCHEMBL767545 0.84 CHRM2 (0.39) CHRM2MCHR1HRH3
SCHEMBL768103 0.83 HRH3 (0.41) CHRM2DRD2HRH3
SCHEMBL15061368 0.83 CHRM2 (0.58) CHRM2
SCHEMBL769143 0.82 CHRM2 (0.40) CHRM2MCHR1DRD2HTR2ADRD3
SCHEMBL768358 0.81 HDAC6 (0.38) CHRM2MCHR1HRH3
SCHEMBL768439 0.81 CHRM2 (0.39) CHRM2MCHR1HRH3

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 CHRM2 2/4885MCHR1 239/4885ACHE 687/4885

“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.