SCHEMBL17542706

SCHEMBL17542706

COc1ccc(CN2C(=O)CCc3c(OCC4(C(=O)O)CCN(c5cc(F)ccc5C(F)(F)F)CC4)ccc(F)c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ MGLL Q99685 3/20 0.34
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ CACNA1S Q13698 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
SCHEMBL17542917 0.94 CHRM4 (0.38) CACNA1GKCNH2MGLLPTGDR2NQO2
SCHEMBL17542867 0.92 KMT2A (0.37) —
SCHEMBL17544008 0.91 DDB1 (0.38) MGLLPTGDR2NQO2PTGER2PDE3B
SCHEMBL17543813 0.90 PTGDR2 (0.38) CACNA1GKCNH2PTGDR2NQO2PTGER2
SCHEMBL17542975 0.88 PTGDR2 (0.34) CACNA1GKCNH2MGLLPTGDR2PTGER2
SCHEMBL17542966 0.88 KCNH2 (0.39) CACNA1GKCNH2MGLLPTGDR2PPARD
SCHEMBL17543294 0.88 KDM4E (0.34) CACNA1GKCNH2PTGDR2NQO2PTGER2
SCHEMBL17543175 0.87 KCNH2 (0.39) CACNA1GKCNH2MGLLPTGDR2PPARD
SCHEMBL17543335 0.87 PTGDR2 (0.39) KCNH2PTGDR2NQO2PTGER2PDE3B
SCHEMBL17544173 0.87 PTGDR2 (0.35) CACNA1GKCNH2PTGDR2NQO2PTGER2

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 8 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
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 CACNA1G 1907/4885KCNH2 2221/4885MGLL 2732/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD CACNA1G 1907/4885KCNH2 2221/4885MGLL 2732/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CACNA1G 1907/4885KCNH2 2221/4885MGLL 2732/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CACNA1G 1907/4885KCNH2 2221/4885MGLL 2732/4885

“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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