SCHEMBL17543990

SCHEMBL17543990

COc1ccc(CN2C(=O)CCc3c(OCC4(C(=O)O)CCN(c5ccc(OC(F)(F)F)cc5)CC4)ccc(F)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 3/20 0.40
▸ LMNA P02545 2/20 0.38
▸ CHRM5 P08912 2/20 0.37
▸ HCRTR1 O43613 7/20 0.36
▸ HCRTR2 O43614 7/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL17543120 0.91 KMT2A (0.39) CHRM4LMNAHCRTR1HCRTR2ALDH1A1
SCHEMBL17543879 0.87 KCNH2 (0.37) PTGDR2ALDH1A1MAPTHTTL3MBTL1
SCHEMBL17543294 0.87 KDM4E (0.34) PTGDR2ALDH1A1MAPTHTTL3MBTL1
SCHEMBL17542975 0.86 PTGDR2 (0.34) CHRM4CHRM5PTGDR2ALDH1A1HTT
SCHEMBL17542917 0.86 CHRM4 (0.38) CHRM4PTGDR2ALDH1A1HTT
SCHEMBL17543674 0.85 PTGDR2 (0.39) PTGDR2MAPTHTTNPSR1FFAR4
SCHEMBL17544173 0.85 PTGDR2 (0.35) PTGDR2ALDH1A1MAPTMAPK1HTT
SCHEMBL17543335 0.85 PTGDR2 (0.39) PTGDR2ALDH1A1MAPTMAPK1HTT
SCHEMBL17544008 0.85 DDB1 (0.38) PTGDR2
SCHEMBL17542966 0.85 KCNH2 (0.39) PTGDR2PPARDPPARAFFAR4

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 CHRM4 2304/4885LMNA 3108/4885CHRM5 1356/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD CHRM4 2304/4885LMNA 3108/4885CHRM5 1356/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRM4 2304/4885LMNA 3108/4885CHRM5 1356/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRM4 2304/4885LMNA 3108/4885CHRM5 1356/4885

“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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