SCHEMBL17543674

SCHEMBL17543674

COc1ccc(CN2C(=O)CCc3c(OCC4(C(=O)O)CCN(c5ccc(Cl)cc5F)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 2/20 0.37
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HTR7 P34969 2/20 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
▸ PTGER4 P35408 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ P2RX3 P56373 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL17543809 0.96 PTGDR2 (0.39) PTGDR2CXCR3POLBMAPTHTR1A
SCHEMBL17543335 0.95 PTGDR2 (0.39) PTGDR2CXCR3POLBMAPTPTGER2
SCHEMBL17544008 0.94 DDB1 (0.38) PTGDR2HTR1AHTR7PTGER2NQO2
SCHEMBL17543094 0.93 TP53 (0.35) PTGDR2CXCR3POLBMAPTPTGER2
SCHEMBL17543066 0.93 PTGDR2 (0.37) PTGDR2CXCR3POLBMAPTHTR1A
SCHEMBL17543858 0.93 GRM2 (0.36) PTGDR2CXCR3POLBMAPTHTR1A
SCHEMBL17543813 0.93 PTGDR2 (0.38) PTGDR2CXCR3POLBMAPTPTGER2
SCHEMBL17542975 0.92 PTGDR2 (0.34) PTGDR2CXCR3PTGER2FFAR4PTGER4
SCHEMBL17542966 0.92 KCNH2 (0.39) PTGDR2FFAR4KCNH2
SCHEMBL17542910 0.92 PTGDR2 (0.34) PTGDR2CXCR3MAPTPTGER2NQO2

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
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
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 1736/4885POLB 384/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PTGDR2 3993/4885CXCR3 1736/4885POLB 384/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885CXCR3 1736/4885POLB 384/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885CXCR3 1736/4885POLB 384/4885

“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.

Send feedback