SCHEMBL17543095

SCHEMBL17543095

COc1ccc(CN2C(=O)CCc3c(OCC4(O)CCN(c5ccc(Cl)cc5Cl)CC4O[Si](C)(C)C(C)(C)C)ccc(F)c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ TRPV4 Q9HBA0 3/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ OXTR P30559 3/20 0.31
▸ AVPR1A P37288 3/20 0.31
▸ AVPR1B P47901 3/20 0.31
▸ HTT P42858 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CNR1 P21554 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
SCHEMBL17542913 1.00 PTGDR2 (0.34) PTGDR2TRPV4GRIN2CCHRM5SCN9A
SCHEMBL17543096 1.00 PTGDR2 (0.34) PTGDR2TRPV4GRIN2CCHRM5SCN9A
SCHEMBL17544183 0.96 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5SCN9AOXTR
SCHEMBL17542992 0.96 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5SCN9AOXTR
SCHEMBL17542873 0.96 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5SCN9AOXTR
SCHEMBL17542990 0.96 PTGDR2 (0.34) PTGDR2GRIN2CCHRM5SCN9AOXTR
SCHEMBL17543922 0.95 SMN1; SMN2 (0.31) PTGDR2GRIN2CCHRM5TP53KDM4E
SCHEMBL17544051 0.95 PTGDR2 (0.32) PTGDR2SCN9AOXTRAVPR1AAVPR1B
SCHEMBL17543130 0.94 GRIN2C (0.33) GRIN2CCHRM5
SCHEMBL17543391 0.94 GRIN2C (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 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 3993/4885TRPV4 3083/4885GRIN2C 1966/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PTGDR2 3993/4885TRPV4 3083/4885GRIN2C 1966/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885TRPV4 3083/4885GRIN2C 1966/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885TRPV4 3083/4885GRIN2C 1966/4885

“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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