SCHEMBL17542777

SCHEMBL17542777

COc1ccc(CN2C(=O)CCc3c(OCC4(N)CCN(c5cc(F)c(F)cc5F)CC4)ccc(F)c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ BLM P54132 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ CHRM5 P08912 2/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90B1 P14625 1/20 0.33
▸ TRAP1 Q12931 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
SCHEMBL17543610 0.92 DDB1 (0.39) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL17543064 0.91 ALDH1A1 (0.33) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL17542784 0.91 GRM2 (0.36) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL17542956 0.90 MC4R (0.35) MEN1KMT2AMAPTCHRM5TP53
SCHEMBL17543534 0.90 GRM2 (0.34) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL17543489 0.90 DDB1 (0.35) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL17542975 0.88 PTGDR2 (0.34) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL17543449 0.88 PTGDR2 (0.34) MEN1KMT2AALDH1A1BLML3MBTL1
SCHEMBL17543127 0.88 NPBWR1 (0.35) MEN1KMT2ACHRM5TRAP1
SCHEMBL17542745 0.88 PTGDR2 (0.35) MEN1KMT2AALDH1A1BLML3MBTL1

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 MEN1 2793/4885KMT2A 2525/4885ALDH1A1 1458/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD MEN1 2793/4885KMT2A 2525/4885ALDH1A1 1458/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MEN1 2793/4885KMT2A 2525/4885ALDH1A1 1458/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MEN1 2793/4885KMT2A 2525/4885ALDH1A1 1458/4885

“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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