SCHEMBL17543066

SCHEMBL17543066

COc1ccc(CN2C(=O)CCc3c(OCC4(C(=O)O)CCN(c5cc(Cl)ccc5Cl)CC4)ccc(F)c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ FFAR4 Q5NUL3 3/20 0.37
▸ ADRA1B P35368 2/20 0.37
▸ CXCR3 P49682 2/20 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
▸ LMNA P02545 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGER2 P43116 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 0.33
▸ HTR7 P34969 1/20 0.33
▸ P2RX3 P56373 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
SCHEMBL17543335 0.95 PTGDR2 (0.39) PTGDR2FFAR4CXCR3HTTNPSR1
SCHEMBL17544173 0.93 PTGDR2 (0.35) PTGDR2FFAR4CXCR3HTTMAPT
SCHEMBL17543674 0.93 PTGDR2 (0.39) PTGDR2FFAR4CXCR3HTTNPSR1
SCHEMBL17542704 0.93 PTGDR2 (0.34) PTGDR2FFAR4CXCR3HTTMAPT
SCHEMBL17543759 0.93 PTGDR2 (0.34) PTGDR2FFAR4CXCR3HTTMAPT
SCHEMBL17543809 0.92 PTGDR2 (0.39) PTGDR2FFAR4CXCR3HTTNPSR1
SCHEMBL17543821 0.92 KMT2A (0.38) ADRA1BHTTPOLBLMNAP2RX3
SCHEMBL17542910 0.91 PTGDR2 (0.34) PTGDR2FFAR4CXCR3HTTMAPT
SCHEMBL17543813 0.91 PTGDR2 (0.38) PTGDR2FFAR4CXCR3POLBMAPT
SCHEMBL17542975 0.90 PTGDR2 (0.34) PTGDR2FFAR4CXCR3HTTPTGER4

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 3993/4885FFAR4 4026/4885ADRA1B 665/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PTGDR2 3993/4885FFAR4 4026/4885ADRA1B 665/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885FFAR4 4026/4885ADRA1B 665/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885FFAR4 4026/4885ADRA1B 665/4885

“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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