SCHEMBL17542800

SCHEMBL17542800

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ BLM P54132 1/20 0.32
▸ EDNRB P24530 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL17542799 1.00 GHSR (0.33) GHSRALDH1A1GRM2L3MBTL1ACHE
SCHEMBL17543061 0.93 GHSR (0.33) GHSRALDH1A1GRM2L3MBTL1ACHE
SCHEMBL17543062 0.93 GHSR (0.33) GHSRALDH1A1GRM2L3MBTL1ACHE
SCHEMBL28416421 0.92 KDM1A (0.35) ALDH1A1L3MBTL1MAPT
SCHEMBL17542932 0.91 GHSR (0.34) GHSRALDH1A1GRM2L3MBTL1ACHE
SCHEMBL17543137 0.91 GHSR (0.34) GHSRALDH1A1GRM2L3MBTL1ACHE
SCHEMBL17544111 0.91 GHSR (0.34) GHSRALDH1A1GRM2L3MBTL1ACHE
SCHEMBL17542930 0.91 GHSR (0.34) GHSRALDH1A1GRM2L3MBTL1ACHE
SCHEMBL17543038 0.88 GRM2 (0.31) GRM2ACHECHRM5OPRD1OPRK1
SCHEMBL17544176 0.87 GHSR (0.35) GHSRALDH1A1L3MBTL1ACHECHRM5

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 GHSR 1879/4885ALDH1A1 1458/4885GRM2 3086/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD GHSR 1879/4885ALDH1A1 1458/4885GRM2 3086/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD GHSR 1879/4885ALDH1A1 1458/4885GRM2 3086/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD GHSR 1879/4885ALDH1A1 1458/4885GRM2 3086/4885

“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.

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