SCHEMBL17542995

SCHEMBL17542995

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ THRB P10828 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ 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 1.00 CHRM5 (0.32) CHRM5CCR3TP53MAPTLMNA
SCHEMBL17543922 0.95 SMN1; SMN2 (0.31) CHRM5CCR3TP53MAPTLMNA
SCHEMBL17544051 0.94 PTGDR2 (0.32) TP53MAPTLMNAKDM4E
SCHEMBL17543751 0.93 GRIN2C (0.31) CHRM5
SCHEMBL17543737 0.93 GRIN2C (0.31) CHRM5
SCHEMBL17543404 0.92 CHRM5 (0.31) CHRM5TP53MAPTSMN1; SMN2THRB
SCHEMBL17543506 0.92 CHRM5 (0.31) CHRM5TP53MAPTSMN1; SMN2THRB
SCHEMBL17543364 0.92 CHRM5 (0.31) CHRM5TP53MAPTSMN1; SMN2THRB
SCHEMBL17542828 0.92 PTGDR2 (0.33) CHRM5
SCHEMBL17543780 0.92 CHRM5 (0.31) CHRM5TP53MAPTSMN1; SMN2THRB

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 CHRM5 1356/4885CCR3 4372/4885TP53 3676/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD CHRM5 1356/4885CCR3 4372/4885TP53 3676/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRM5 1356/4885CCR3 4372/4885TP53 3676/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRM5 1356/4885CCR3 4372/4885TP53 3676/4885

“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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