SCHEMBL20162169

SCHEMBL20162169

CC(C)(C)OC(=O)N1CCc2cc(/C=C/C(=O)O)ccc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.65
HDAC1 Q13547 2/20 0.64
NR1H2 P55055 1/20 0.57
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 3/20 0.43
ABHD6 Q9BV23 2/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL20367229 0.89 HDAC1 (0.64) ESR2HDAC1NR1H2ALDH1A1MEN1
SCHEMBL20364370 0.88 ESR2 (0.67) ESR2HDAC1NR1H2MEN1KMT2A
SCHEMBL14995211 0.88 ESR2 (0.61) ESR2HDAC1NR1H2ALDH1A1MEN1
SCHEMBL14995212 0.88 ESR2 (0.61) ESR2HDAC1NR1H2ALDH1A1MEN1
SCHEMBL19643193 0.86 ESR2 (0.58) ESR2HDAC1NR1H2ALDH1A1MEN1
SCHEMBL19643195 0.86 ESR2 (0.58) ESR2HDAC1NR1H2ALDH1A1MEN1
SCHEMBL2222982 0.85 ESR2 (0.70) ESR2HDAC1NR1H2MEN1KMT2A
SCHEMBL31084557 0.85 ESR2 (0.70) ESR2HDAC1NR1H2MEN1KMT2A
SCHEMBL13538178 0.84 ESR2 (0.69) ESR2HDAC1NR1H2MEN1KMT2A
SCHEMBL3185199 0.84 HDAC1 (0.64) ESR2HDAC1NR1H2ALDH1A1MEN1

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 5 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-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 620/4885HDAC1 27/4885NR1H2 313/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 ESR2 620/4885HDAC1 27/4885NR1H2 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.