SCHEMBL20169940

SCHEMBL20169940

CC(C)(C)OC(=O)N1CCc2cc(/C=C/C(=O)Nc3cn(Cc4cc(F)c(F)c(F)c4)cn3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.51
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.38
MAP3K5 Q99683 2/20 0.37
BCHE P06276 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
KCNH2 Q12809 2/20 0.35
TAS2R8 Q9NYW2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC34A1 Q06495 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL20162136 0.89 HDAC1 (0.41) HDAC1BCHEMAOAACHEMAOB
SCHEMBL20364337 0.86 ESR2 (0.46) HDAC1ESR2NR1H2MAP3K5TAS2R8
SCHEMBL20364342 0.82 MAP3K5 (0.53) MAP3K5
SCHEMBL20364343 0.81 MAP3K5 (0.46) ESR2NR1H2MAP3K5MAPT
SCHEMBL20364353 0.80 MAP3K5 (0.42) HDAC1ESR2NR1H2MAP3K5TAS2R8
SCHEMBL20364336 0.80 MAP3K5 (0.40) ESR2NR1H2MAP3K5TAS2R8MAPT
SCHEMBL20169984 0.80 HDAC1 (0.36) HDAC1PARP1PARP2KCNH2TAS2R8
SCHEMBL20364341 0.79 MAP3K5 (0.38) HDAC1ESR2NR1H2MAP3K5TAS2R8
SCHEMBL20367291 0.79 ESR2 (0.46) ESR2NR1H2MAP3K5MEN1KMT2A
SCHEMBL20364335 0.77 MAP3K5 (0.38) ESR2NR1H2MAP3K5TAS2R8SLC34A1

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-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
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 HDAC1 27/4885ESR2 620/4885NR1H2 313/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 HDAC1 27/4885ESR2 620/4885NR1H2 313/4885

“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.