SCHEMBL17542828

SCHEMBL17542828

COc1ccc(CN2C(=O)CCc3c(OC[C@]4(O)CCN(c5ccc(Cl)cc5F)C[C@H]4O[Si](C)(C)C(C)(C)C)ccc(Cl)c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ GRIN2C Q14957 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ OXTR P30559 2/20 0.31
▸ AVPR1A P37288 2/20 0.31
▸ AVPR1B P47901 2/20 0.31
▸ SCN9A Q15858 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
SCHEMBL17542873 0.96 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5OXTRAVPR1A
SCHEMBL17544183 0.96 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5OXTRAVPR1A
SCHEMBL17542992 0.96 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5OXTRAVPR1A
SCHEMBL17542990 0.96 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5OXTRAVPR1A
SCHEMBL17544051 0.95 PTGDR2 (0.32) PTGDR2OXTRAVPR1AAVPR1BSCN9A
SCHEMBL17543096 0.94 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5OXTRAVPR1A
SCHEMBL17542913 0.94 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5OXTRAVPR1A
SCHEMBL17543095 0.94 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5OXTRAVPR1A
SCHEMBL17544057 0.93 GRIN2C (0.31) GRIN2CCHRM5
SCHEMBL17543433 0.93 PTGDR2 (0.32) PTGDR2CHRM5SCN9A

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 3993/4885GRIN2C 1966/4885CHRM5 1356/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PTGDR2 3993/4885GRIN2C 1966/4885CHRM5 1356/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885GRIN2C 1966/4885CHRM5 1356/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885GRIN2C 1966/4885CHRM5 1356/4885

“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