SCHEMBL17542909

SCHEMBL17542909

COc1ccc(CN2C(=O)CCc3c(OC[C@@]4(O)CCN(C(=O)O)C[C@H]4O[Si](C)(C)C(C)(C)C)ccc(F)c32)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.32
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ PTGDR2 Q9Y5Y4 3/20 0.31
▸ GRM2 Q14416 2/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL17542856 1.00 THRB (0.32) THRBOPRD1OPRK1PTGDR2GRM2
SCHEMBL17543591 1.00 THRB (0.32) THRBOPRD1OPRK1PTGDR2GRM2
SCHEMBL17542906 1.00 THRB (0.32) THRBOPRD1OPRK1PTGDR2GRM2
SCHEMBL28891831 0.93 HTR6 (0.34) THRBALDH1A1L3MBTL1
SCHEMBL28413757 0.93 HTR6 (0.34) THRBALDH1A1L3MBTL1
SCHEMBL17543649 0.92 THRB (0.32) THRBOPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL17542918 0.92 THRB (0.32) THRBOPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL17543038 0.92 GRM2 (0.31) THRBOPRD1OPRK1GRM2GRIN2C
SCHEMBL17543543 0.91 OPRD1 (0.31) THRBOPRD1OPRK1GRM2GRIN2C
SCHEMBL17543545 0.91 OPRD1 (0.31) THRBOPRD1OPRK1GRM2GRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 — — US disclosed
EP-3186240-B1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2019-06-12 — — EP disclosed
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 — — US disclosed
US-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-21 — — US disclosed
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-09-07 — — US disclosed
EP-3186240-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS Otsuka Pharmaceutical Co., Ltd. (JP) 2017-07-05 — — EP disclosed
WO-2016031255-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-03-03 — — WO 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 (4 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-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD THRB 262/4885OPRD1 2165/4885OPRK1 2535/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD THRB 262/4885OPRD1 2165/4885OPRK1 2535/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD THRB 262/4885OPRD1 2165/4885OPRK1 2535/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD THRB 262/4885OPRD1 2165/4885OPRK1 2535/4885

“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.

Send feedback