SCHEMBL17544069

SCHEMBL17544069

COc1ccc(CN2C(=O)CCc3c(OCC4(O)CCN(C(=O)O)CC4(C)O)ccc(F)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BLM P54132 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GRM2 Q14416 2/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ LMNA P02545 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
SCHEMBL17544070 1.00 GHSR (0.35) GHSRMEN1ALDH1A1KMT2ABLM
SCHEMBL17543698 0.88 MEN1 (0.36) GHSRMEN1ALDH1A1KMT2ABLM
SCHEMBL17542825 0.86 GHSR (0.34) GHSRMEN1ALDH1A1KMT2ABLM
SCHEMBL17542827 0.86 GHSR (0.34) GHSRMEN1ALDH1A1KMT2ABLM
SCHEMBL17544030 0.84 PTGDR2 (0.35) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17544031 0.84 PTGDR2 (0.35) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17543884 0.84 KCNH2 (0.39) GHSRMEN1ALDH1A1KMT2ABLM
SCHEMBL17542932 0.84 GHSR (0.34) GHSRMEN1ALDH1A1KMT2ABLM
SCHEMBL17543653 0.84 ALDH1A1 (0.33) GHSRMEN1ALDH1A1KMT2ABLM
SCHEMBL17543137 0.84 GHSR (0.34) GHSRMEN1ALDH1A1KMT2ABLM

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 1879/4885MEN1 2793/4885ALDH1A1 1458/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD GHSR 1879/4885MEN1 2793/4885ALDH1A1 1458/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD GHSR 1879/4885MEN1 2793/4885ALDH1A1 1458/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD GHSR 1879/4885MEN1 2793/4885ALDH1A1 1458/4885

“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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