SCHEMBL17543768

SCHEMBL17543768

COc1ccc(CN2C(=O)CCc3c(OC[C@@]4(O)CCN(c5ccc(Cl)cc5Cl)C[C@@H]4O)ccc(F)c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.37
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ CHRM5 P08912 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ IKZF3 Q9UKT9 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
SCHEMBL17543767 1.00 TRPV4 (0.37) TRPV4HTTNPSR1PTGDR2CHRM5
SCHEMBL17543627 0.96 PTGDR2 (0.35) TRPV4HTTNPSR1PTGDR2CHRM5
SCHEMBL17543626 0.96 PTGDR2 (0.35) TRPV4HTTNPSR1PTGDR2CHRM5
SCHEMBL17543096 0.88 PTGDR2 (0.34) TRPV4HTTNPSR1PTGDR2CHRM5
SCHEMBL17543095 0.88 PTGDR2 (0.34) TRPV4HTTNPSR1PTGDR2CHRM5
SCHEMBL17542913 0.88 PTGDR2 (0.34) TRPV4HTTNPSR1PTGDR2CHRM5
SCHEMBL17543735 0.85 HTT (0.37) HTTNPSR1PTGDR2CHRM5DRD2
SCHEMBL17543335 0.85 PTGDR2 (0.39) HTTNPSR1PTGDR2DRD2DRD4
SCHEMBL17542930 0.84 GHSR (0.34) HTTPTGDR2CHRM5KDM4EALDH1A1
SCHEMBL17543137 0.84 GHSR (0.34) HTTPTGDR2CHRM5KDM4EALDH1A1

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
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 TRPV4 3083/4885HTT 3769/4885NPSR1 3278/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD TRPV4 3083/4885HTT 3769/4885NPSR1 3278/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD TRPV4 3083/4885HTT 3769/4885NPSR1 3278/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD TRPV4 3083/4885HTT 3769/4885NPSR1 3278/4885

“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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