SCHEMBL17543809

SCHEMBL17543809

COc1ccc(CN2C(=O)CCc3c(OCC4(C(=O)O)CCN(c5ccc(Cl)cc5F)CC4)ccc(Cl)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.39
▸ CXCR3 P49682 1/20 0.36
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.34
▸ 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
▸ PTGER4 P35408 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ THRB P10828 1/20 0.33

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 0.96 PTGDR2 (0.39) PTGDR2CXCR3HTTNPSR1POLB
SCHEMBL17543048 0.94 PTGDR2 (0.40) PTGDR2CXCR3HTTNPSR1POLB
SCHEMBL17543335 0.93 PTGDR2 (0.39) PTGDR2CXCR3HTTNPSR1POLB
SCHEMBL17543998 0.92 KMT2A (0.38) PTGDR2HTTPOLB
SCHEMBL17543066 0.92 PTGDR2 (0.37) PTGDR2CXCR3HTTNPSR1POLB
SCHEMBL17543601 0.92 KCNH2 (0.36) PTGDR2CXCR3HTTPOLBFFAR4
SCHEMBL17544008 0.90 DDB1 (0.38) PTGDR2HTR1AHTR7PTGER2NQO2
SCHEMBL17542910 0.89 PTGDR2 (0.34) PTGDR2CXCR3HTTMAPTFFAR4
SCHEMBL17543094 0.89 TP53 (0.35) PTGDR2CXCR3HTTPOLBMAPT
SCHEMBL17542745 0.89 PTGDR2 (0.35) PTGDR2HTTNPSR1MAPTHTR1A

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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