SCHEMBL17543449

SCHEMBL17543449

COc1ccc(CN2C(=O)CCc3c(OCC4(N)CCN(c5ccc(Cl)cc5C(F)(F)F)CC4)ccc(F)c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ CHRM5 P08912 3/20 0.33
▸ C5AR1 P21730 1/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ RBP4 P02753 1/20 0.33
▸ KCNA5 P22460 1/20 0.32
▸ TRPC5 Q9UL62 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90B1 P14625 1/20 0.32
▸ TRAP1 Q12931 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ P2RX3 P56373 1/20 0.32

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
SCHEMBL17543127 0.90 NPBWR1 (0.35) CHRM5TRAP1MEN1KMT2A
SCHEMBL17543813 0.89 PTGDR2 (0.38) PTGDR2CHRM5RBP4MAPT
SCHEMBL17542956 0.89 MC4R (0.35) CHRM5HTR1ATP53MAPTMEN1
SCHEMBL17543489 0.89 DDB1 (0.35) PTGDR2HTR1AHTR7HSP90AA1HSP90B1
SCHEMBL17542745 0.88 PTGDR2 (0.35) PTGDR2CHRM5HTR1AHTR7HSP90AA1
SCHEMBL17543492 0.88 PTGDR2 (0.33) PTGDR2CHRM5HTR1AHTR7RBP4
SCHEMBL17543610 0.88 DDB1 (0.39) HTR1AHTR7TP53MAPTMEN1
SCHEMBL17542777 0.88 MEN1 (0.34) CHRM5HSP90AA1HSP90B1TRAP1TP53
SCHEMBL17543064 0.87 ALDH1A1 (0.33) CHRM5TP53MAPTMEN1ALDH1A1
SCHEMBL17542784 0.87 GRM2 (0.36) PTGDR2CHRM5HTR1AHTR7HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795117-B Heterobicyclic compounds and their use for the treatment of tuberculosis 大塚制药株式会社 2020-06-26 — — CN disclosed
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 PTGDR2 3993/4885CHRM5 1356/4885C5AR1 3648/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PTGDR2 3993/4885CHRM5 1356/4885C5AR1 3648/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885CHRM5 1356/4885C5AR1 3648/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885CHRM5 1356/4885C5AR1 3648/4885

“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