SCHEMBL799322

SCHEMBL799322

COCC(=O)N(C)CCCN(C)C(=O)c1ccc(CNCCCCCC(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.61
CHRM3 P20309 17/20 0.56
ADRB2 P07550 3/20 0.56
SLC2A1 P11166 2/20 0.51

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
SCHEMBL783779 0.91 CHRM2 (0.58) CHRM2CHRM3SLC2A1
SCHEMBL10279245 0.90 CHRM2 (0.61) CHRM2CHRM3ADRB2SLC2A1
SCHEMBL10279587 0.90 CHRM2 (0.58) CHRM2CHRM3SLC2A1
SCHEMBL783829 0.89 CHRM2 (0.59) CHRM2CHRM3SLC2A1
SCHEMBL10279630 0.89 CHRM2 (0.61) CHRM2CHRM3ADRB2SLC2A1
SCHEMBL4421627 0.88 CHRM3 (0.57) CHRM2CHRM3ADRB2
SCHEMBL643545 0.86 CHRM2 (0.70) CHRM2CHRM3ADRB2
SCHEMBL783794 0.86 CHRM2 (0.53) CHRM2CHRM3SLC2A1
Hydrochloric Acid SCHEMBL381044 0.86 CHRM2 (0.55) CHRM2CHRM3ADRB2
SCHEMBL645125 0.86 CHRM2 (0.73) CHRM2CHRM3ADRB2

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 1/4885ADRB2 47/4885

“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.