SCHEMBL17543504

SCHEMBL17543504

COc1ccc(CN2C(=O)CCc3c(OCC4(N=C=O)CCN(c5cc(F)c(-c6ccc(Cl)cc6F)cc5F)CC4)ccc(F)c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ CHRM5 P08912 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PPP1CA P62136 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PTGDR2 Q9Y5Y4 2/20 0.31
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 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
SCHEMBL17542636 0.96 CHRM5 (0.31) HTR1AHTR7GRM2CHRM5KDM4E
SCHEMBL17543581 0.92 MEN1 (0.32) CHRM5KDM4EMEN1TP53GAA
SCHEMBL17543512 0.89 PTGDR2 (0.33) HTR1AHTR7CHRM5KDM4EMEN1
SCHEMBL17542784 0.88 GRM2 (0.36) HTR1AHTR7GRM2CHRM5KDM4E
SCHEMBL17543492 0.88 PTGDR2 (0.33) HTR1AHTR7CHRM5KDM4EMEN1
SCHEMBL17543877 0.88 DDB1 (0.39) HTR1AHTR7KDM4EMEN1TP53
SCHEMBL17542796 0.87 ALDH1A1 (0.33) CHRM5KDM4EMEN1TP53GAA
SCHEMBL17543858 0.86 GRM2 (0.36) HTR1AHTR7GRM2CHRM5MEN1
SCHEMBL17542907 0.86 DDB1 (0.32) HTR1ACHRM5KDM4EMEN1TP53
SCHEMBL17543557 0.85 KMT2A (0.36) GRM2MEN1HTTKMT2APTGDR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR1A 4686/4885HTR7 3777/4885GRM2 3086/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD HTR1A 4686/4885HTR7 3777/4885GRM2 3086/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD HTR1A 4686/4885HTR7 3777/4885GRM2 3086/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD HTR1A 4686/4885HTR7 3777/4885GRM2 3086/4885

“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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