SCHEMBL17543922

SCHEMBL17543922

COc1ccc(CN2C(=O)CCc3c(OC[C@]4(O)CCN(c5ccc(F)cc5Cl)C[C@H]4O[Si](C)(C)C(C)(C)C)ccc(F)c32)cc1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CCR3 P51677 1/20 0.31
▸ TP53 P04637 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MGLL Q99685 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
SCHEMBL17543553 0.95 CHRM5 (0.32) SMN1; SMN2LMNAKDM4ECHRM5CCR3
SCHEMBL17542995 0.95 CHRM5 (0.32) SMN1; SMN2LMNAKDM4ECHRM5CCR3
SCHEMBL17544239 0.95 DDB1 (0.33) SMN1; SMN2LMNAKDM4ECHRM5CCR3
SCHEMBL17542913 0.95 PTGDR2 (0.34) KDM4EGRIN2CCHRM5TP53PTGDR2
SCHEMBL17543096 0.95 PTGDR2 (0.34) KDM4EGRIN2CCHRM5TP53PTGDR2
SCHEMBL17543095 0.95 PTGDR2 (0.34) KDM4EGRIN2CCHRM5TP53PTGDR2
SCHEMBL17543391 0.94 GRIN2C (0.33) GRIN2CCHRM5
SCHEMBL17543130 0.94 GRIN2C (0.33) GRIN2CCHRM5
SCHEMBL17543506 0.93 CHRM5 (0.31) SMN1; SMN2CHRM5TP53MAPTTHRB
SCHEMBL17543404 0.93 CHRM5 (0.31) SMN1; SMN2CHRM5TP53MAPTTHRB

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 SMN1; SMN2 4767/4885LMNA 3108/4885KDM4E 3721/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885LMNA 3108/4885KDM4E 3721/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885LMNA 3108/4885KDM4E 3721/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885LMNA 3108/4885KDM4E 3721/4885

“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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