SCHEMBL17543737

SCHEMBL17543737

COc1ccc(CN2C(=O)CCc3c(OC[C@]4(O)CCN(c5cc(F)c(Cl)cc5Cl)C[C@H]4O[Si](C)(C)C(C)(C)C)ccc(Cl)c32)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRIN2C Q14957 1/20 0.31
▸ CXCR3 P49682 3/20 0.30
▸ CHRM5 P08912 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
SCHEMBL17543751 0.97 GRIN2C (0.31) GRIN2CCXCR3CHRM5
SCHEMBL17543391 0.96 GRIN2C (0.33) GRIN2CCHRM5
SCHEMBL17544057 0.96 GRIN2C (0.31) GRIN2CCXCR3CHRM5
SCHEMBL17543130 0.94 GRIN2C (0.33) GRIN2CCHRM5
SCHEMBL17542995 0.93 CHRM5 (0.32) CHRM5
SCHEMBL17543553 0.93 CHRM5 (0.32) CHRM5
SCHEMBL17542846 0.92 GRIN2C (0.33) GRIN2CCHRM5
SCHEMBL17543226 0.92 GRIN2C (0.33) GRIN2CCHRM5
SCHEMBL17542844 0.92 GRIN2C (0.33) GRIN2CCHRM5
SCHEMBL17542828 0.92 PTGDR2 (0.33) GRIN2CCHRM5

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
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
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 GRIN2C 1966/4885CXCR3 1736/4885CHRM5 1356/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD GRIN2C 1966/4885CXCR3 1736/4885CHRM5 1356/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD GRIN2C 1966/4885CXCR3 1736/4885CHRM5 1356/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD GRIN2C 1966/4885CXCR3 1736/4885CHRM5 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.

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