SCHEMBL17543673

SCHEMBL17543673

CCOc1ccc(N2CCC(O)(CNc3ccc(Cl)c4c3CCC(=O)N4Cc3ccc(OC)cc3)CC2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 3/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ACACB O00763 3/20 0.32
▸ GRM2 Q14416 2/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ SSTR5 P35346 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL17543838 0.94 CHRM5 (0.34) CHRM5NPY2RACACBGRM2ALDH1A1
SCHEMBL17542942 0.92 PTGDR2 (0.36) CHRM5SMN1; SMN2ALDH1A1
SCHEMBL17543480 0.90 CHRM5 (0.34) CHRM5SMN1; SMN2GRM2HTR1AALDH1A1
SCHEMBL17543632 0.88 CHRM5 (0.34) CHRM5SMN1; SMN2GRM2HTR1AALDH1A1
SCHEMBL17543797 0.87 CHRM5 (0.35) CHRM5SMN1; SMN2GRM2ALDH1A1MAPT
SCHEMBL17542928 0.87 KCNH2 (0.35) CHRM5SMN1; SMN2GRM2HTR1AALDH1A1
SCHEMBL17544021 0.86 CHRM5 (0.34) CHRM5SMN1; SMN2ALDH1A1P2RX7MAPT
SCHEMBL17542765 0.85 CHRM5 (0.42) CHRM5P2RX7LMNA
SCHEMBL17543875 0.85 SMN1; SMN2 (0.33) CHRM5SMN1; SMN2GRM2HTR1AALDH1A1
SCHEMBL17542879 0.85 GRM2 (0.33) CHRM5GRM2ALDH1A1P2RX7LMNA

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 1356/4885NPY2R 4612/4885SMN1; SMN2 4767/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD CHRM5 1356/4885NPY2R 4612/4885SMN1; SMN2 4767/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRM5 1356/4885NPY2R 4612/4885SMN1; SMN2 4767/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRM5 1356/4885NPY2R 4612/4885SMN1; 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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