SCHEMBL20170243

SCHEMBL20170243

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cn(Cc4cccc(Cl)c4)cn3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
TAS2R8 Q9NYW2 1/20 0.44
ABCB1 P08183 1/20 0.43
MAP3K5 Q99683 9/20 0.42
NAMPT P43490 1/20 0.42
NR1H2 P55055 1/20 0.40
MAPK1 P28482 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER1 P34995 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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
SCHEMBL20364363 0.93 ESR2 (0.48) ESR2TAS2R8MAP3K5NR1H2CDK5
SCHEMBL20364347 0.91 TAS2R8 (0.49) ESR2TAS2R8MAP3K5NR1H2MKNK1
SCHEMBL20364356 0.90 MAP3K5 (0.41) ESR2TAS2R8ABCB1MAP3K5NAMPT
SCHEMBL20367121 0.89 ABCB1 (0.44) ESR2TAS2R8ABCB1MAP3K5NAMPT
SCHEMBL20364350 0.88 TAS2R8 (0.49) ESR2TAS2R8MAP3K5NR1H2
SCHEMBL20364357 0.88 MAP3K5 (0.41) ESR2MAP3K5NR1H2MAPK1MKNK1
SCHEMBL20367330 0.86 ABCB1 (0.44) TAS2R8ABCB1MAP3K5NR1H2
SCHEMBL20364337 0.86 ESR2 (0.46) ESR2TAS2R8MAP3K5NR1H2
SCHEMBL20364364 0.85 ESR2 (0.53) ESR2TAS2R8MAP3K5NAMPTNR1H2
SCHEMBL20364355 0.85 TAS2R8 (0.47) TAS2R8MAP3K5NAMPTCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 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 (2 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-10294237-B2 Bicyclic heterocyclic amide derivative NR0B1, NR2E1, NR0B2 ESR2 620/4885TAS2R8 2479/4885ABCB1 1642/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 ESR2 620/4885TAS2R8 2479/4885ABCB1 1642/4885

“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.