SCHEMBL17544030

SCHEMBL17544030

COc1ccc(CN2C(=O)CCc3c(OCC4(O)CCN(c5ccc(Cl)cc5F)CC4(C)O)ccc(F)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ CHRM5 P08912 4/20 0.35
▸ SCN9A Q15858 1/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ BLM P54132 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ MAPT P10636 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
SCHEMBL17544031 1.00 PTGDR2 (0.35) PTGDR2CHRM5SCN9AHTR1AHTR7
SCHEMBL17543101 0.86 CHRM5 (0.34) CHRM5ALDH1A1HTTMAPT
SCHEMBL17543100 0.86 CHRM5 (0.34) CHRM5ALDH1A1HTTMAPT
SCHEMBL17543674 0.85 PTGDR2 (0.39) PTGDR2HTR1AHTR7HTTNPSR1
SCHEMBL17543627 0.85 PTGDR2 (0.35) PTGDR2CHRM5SCN9AHTR1AHTR7
SCHEMBL17543626 0.85 PTGDR2 (0.35) PTGDR2CHRM5SCN9AHTR1AHTR7
SCHEMBL17544069 0.84 GHSR (0.35) CHRM5MEN1ALDH1A1KMT2ABLM
SCHEMBL17544070 0.84 GHSR (0.35) CHRM5MEN1ALDH1A1KMT2ABLM
SCHEMBL17542660 0.83 KMT2A (0.39) PTGDR2MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL17543735 0.81 HTT (0.37) PTGDR2CHRM5HTR1AHTR7MEN1

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 6 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
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 PTGDR2 3993/4885CHRM5 1356/4885SCN9A 1635/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PTGDR2 3993/4885CHRM5 1356/4885SCN9A 1635/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885CHRM5 1356/4885SCN9A 1635/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885CHRM5 1356/4885SCN9A 1635/4885

“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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