SCHEMBL17544077

SCHEMBL17544077

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ PTGDR2 Q9Y5Y4 6/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 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
SCHEMBL17543385 1.00 GHSR (0.34) GHSRCYP2D6TSHROPRD1OPRK1
SCHEMBL17543387 1.00 GHSR (0.34) GHSRCYP2D6TSHROPRD1OPRK1
SCHEMBL17542932 0.92 GHSR (0.34) GHSRCYP2D6TSHROPRD1OPRK1
SCHEMBL17542930 0.92 GHSR (0.34) GHSRCYP2D6TSHROPRD1OPRK1
SCHEMBL17543654 0.92 ALDH1A1 (0.33) GHSRCYP2D6TSHROPRD1OPRK1
SCHEMBL17543653 0.92 ALDH1A1 (0.33) GHSRCYP2D6TSHROPRD1OPRK1
SCHEMBL17544111 0.92 GHSR (0.34) GHSRCYP2D6TSHROPRD1OPRK1
SCHEMBL17543137 0.92 GHSR (0.34) GHSRCYP2D6TSHROPRD1OPRK1
SCHEMBL17543591 0.91 THRB (0.32) OPRD1OPRK1PTGDR2ALDH1A1L3MBTL1
SCHEMBL17542906 0.91 THRB (0.32) OPRD1OPRK1PTGDR2ALDH1A1L3MBTL1

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 GHSR 1879/4885CYP2D6 431/4885TSHR 871/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD GHSR 1879/4885CYP2D6 431/4885TSHR 871/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD GHSR 1879/4885CYP2D6 431/4885TSHR 871/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD GHSR 1879/4885CYP2D6 431/4885TSHR 871/4885

“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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