SCHEMBL768571

SCHEMBL768571

CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCCN(C)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
CHRM3 P20309 17/20 0.54
SLC2A1 P11166 2/20 0.52

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
SCHEMBL381179 0.91 CHRM3 (0.58) CHRM2CHRM3SLC2A1
SCHEMBL381329 0.91 CHRM3 (0.58) CHRM2CHRM3SLC2A1
SCHEMBL408406 0.91 CHRM3 (0.59) CHRM2CHRM3
SCHEMBL381197 0.90 CHRM2 (0.58) CHRM2CHRM3SLC2A1
SCHEMBL768745 0.89 CHRM2 (0.54) CHRM2CHRM3
SCHEMBL380186 0.88 CHRM3 (0.59) CHRM2CHRM3
SCHEMBL380612 0.88 CHRM2 (0.58) CHRM2CHRM3
SCHEMBL380604 0.86 CHRM2 (0.60) CHRM2CHRM3SLC2A1
SCHEMBL10279242 0.86 CHRM2 (0.61) CHRM2CHRM3SLC2A1
SCHEMBL1191081 0.86 CHRM3 (0.65) CHRM2CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
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 2/4885CHRM3 1/4885SLC2A1 1942/4885

“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.