SCHEMBL17543858

SCHEMBL17543858

COc1ccc(CN2C(=O)CCc3c(OCC4(C(=O)O)CCN(c5cc(F)c(-c6ccc(Cl)cc6F)cc5F)CC4)ccc(F)c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 4/20 0.36
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ CXCR3 P49682 1/20 0.35
▸ 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
▸ CHRM5 P08912 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ PTGER2 P43116 1/20 0.32
▸ PTGDR Q13258 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ P2RX3 P56373 1/20 0.31

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
SCHEMBL17543562 0.96 PTGDR2 (0.35) GRM2PTGDR2CXCR3POLBMAPT
SCHEMBL17543674 0.93 PTGDR2 (0.39) PTGDR2CXCR3POLBMAPTHTR1A
SCHEMBL17543557 0.92 KMT2A (0.36) GRM2PTGDR2POLBMEN1KMT2A
SCHEMBL17542975 0.92 PTGDR2 (0.34) GRM2PTGDR2CXCR3FFAR4CHRM5
SCHEMBL17542910 0.91 PTGDR2 (0.34) GRM2PTGDR2CXCR3MAPTFFAR4
SCHEMBL28418473 0.91 SMN1; SMN2 (0.36) GRM2PTGDR2CXCR3HTR1AHTR7
SCHEMBL17543335 0.90 PTGDR2 (0.39) PTGDR2CXCR3POLBMAPTFFAR4
SCHEMBL17542784 0.90 GRM2 (0.36) GRM2PTGDR2POLBMAPTHTR1A
SCHEMBL17543066 0.89 PTGDR2 (0.37) PTGDR2CXCR3POLBMAPTHTR1A
SCHEMBL17543809 0.89 PTGDR2 (0.39) PTGDR2CXCR3POLBMAPTHTR1A

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 GRM2 3086/4885PTGDR2 3993/4885CXCR3 1736/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD GRM2 3086/4885PTGDR2 3993/4885CXCR3 1736/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD GRM2 3086/4885PTGDR2 3993/4885CXCR3 1736/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD GRM2 3086/4885PTGDR2 3993/4885CXCR3 1736/4885

“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