SCHEMBL17544239

SCHEMBL17544239

COc1ccc(CN2C(=O)CCc3c(OC[C@]4(O)CCN(c5ccc(F)cc5F)C[C@H]4O[Si](C)(C)C(C)(C)C)ccc(F)c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 5/20 0.33
▸ CRBN Q96SW2 5/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ IKZF3 Q9UKT9 3/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ CCR3 P51677 1/20 0.30
▸ GPR6 P46095 1/20 0.30

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
SCHEMBL17543922 0.95 SMN1; SMN2 (0.31) SMN1; SMN2KDM4ELMNACHRM5DPP4
SCHEMBL17542992 0.95 PTGDR2 (0.34) CHRM5
SCHEMBL17544183 0.95 PTGDR2 (0.34) CHRM5
SCHEMBL17542873 0.95 PTGDR2 (0.34) CHRM5
SCHEMBL17542990 0.95 PTGDR2 (0.34) CHRM5
SCHEMBL17543682 0.94 ACACB (0.31) CHRM5
SCHEMBL17544132 0.93 CHRM5 (0.39) CHRM5
SCHEMBL17543096 0.92 PTGDR2 (0.34) KDM4ECHRM5TP53
SCHEMBL17543095 0.92 PTGDR2 (0.34) KDM4ECHRM5TP53
SCHEMBL17542913 0.92 PTGDR2 (0.34) KDM4ECHRM5TP53

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 DDB1 879/4885CRBN 4471/4885SMN1; SMN2 4767/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD DDB1 879/4885CRBN 4471/4885SMN1; SMN2 4767/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD DDB1 879/4885CRBN 4471/4885SMN1; SMN2 4767/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD DDB1 879/4885CRBN 4471/4885SMN1; SMN2 4767/4885

“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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