SCHEMBL381102

SCHEMBL381102

COc1cc(N(C)CCCCCC(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.54
CHRM3 P20309 17/20 0.49
ADRB2 P07550 4/20 0.49
CHRM2 P08172 1/20 0.47

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
SCHEMBL783947 0.88 SLC2A1 (0.54) SLC2A1CHRM3ADRB2CHRM2
SCHEMBL768571 0.84 CHRM2 (0.54) SLC2A1CHRM3CHRM2
SCHEMBL381439 0.83 SLC2A1 (0.48) SLC2A1CHRM3ADRB2CHRM2
SCHEMBL381103 0.83 SLC2A1 (0.51) SLC2A1CHRM3CHRM2
SCHEMBL769258 0.81 CHRM3 (0.65) SLC2A1CHRM3
SCHEMBL381180 0.81 CHRM3 (0.58) CHRM3
SCHEMBL4430556 0.80 CHRM3 (0.65) CHRM3
SCHEMBL1191081 0.80 CHRM3 (0.65) CHRM3CHRM2
SCHEMBL381198 0.80 CHRM3 (0.67) CHRM3
SCHEMBL381227 0.80 CHRM3 (0.67) CHRM3

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 3 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
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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 SLC2A1 1942/4885CHRM3 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.