SCHEMBL17543335

SCHEMBL17543335

COc1ccc(CN2C(=O)CCc3c(OCC4(C(=O)O)CCN(c5ccc(Cl)cc5Cl)CC4)ccc(F)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.39
▸ CXCR3 P49682 1/20 0.37
▸ HTT P42858 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PTGER2 P43116 2/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL17543674 0.95 PTGDR2 (0.39) PTGDR2CXCR3HTTNPSR1MAPT
SCHEMBL17543066 0.95 PTGDR2 (0.37) PTGDR2CXCR3HTTNPSR1MAPT
SCHEMBL17544173 0.94 PTGDR2 (0.35) PTGDR2CXCR3HTTMAPTPTGER2
SCHEMBL17543048 0.94 PTGDR2 (0.40) PTGDR2CXCR3HTTNPSR1MAPT
SCHEMBL17542704 0.93 PTGDR2 (0.34) PTGDR2CXCR3HTTMAPTPTGER2
SCHEMBL17543759 0.93 PTGDR2 (0.34) PTGDR2CXCR3HTTMAPTPTGER2
SCHEMBL17543175 0.93 KCNH2 (0.39) PTGDR2NPSR1MAPTFFAR4KCNH2
SCHEMBL17543813 0.93 PTGDR2 (0.38) PTGDR2CXCR3MAPTPOLBPTGER2
SCHEMBL17543809 0.93 PTGDR2 (0.39) PTGDR2CXCR3HTTNPSR1MAPT
SCHEMBL17542910 0.92 PTGDR2 (0.34) PTGDR2CXCR3HTTMAPTPTGER2

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 PTGDR2 3993/4885CXCR3 1736/4885HTT 3769/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PTGDR2 3993/4885CXCR3 1736/4885HTT 3769/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885CXCR3 1736/4885HTT 3769/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885CXCR3 1736/4885HTT 3769/4885

“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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