SCHEMBL17543339

SCHEMBL17543339

COc1ccc(CN2C(=O)CCc3c(OCC4CCN(C(=O)O)CC4O)ccc(F)c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ ACHE P22303 1/20 0.34
▸ SLC18A3 Q16572 4/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ CHRM1 P11229 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL17543341 1.00 KDM4E (0.35) KDM4EACHESLC18A3DRD2ALDH1A1
SCHEMBL17543453 0.84 PTGDR2 (0.35) ALDH1A1PTGDR2
SCHEMBL17543455 0.84 PTGDR2 (0.35) ALDH1A1PTGDR2
SCHEMBL17543301 0.84 TRPV4 (0.36) KDM4EDRD2ALDH1A1HTTPTGDR2
SCHEMBL17543299 0.84 TRPV4 (0.36) KDM4EDRD2ALDH1A1HTTPTGDR2
SCHEMBL17543023 0.84 GRIN2C (0.36) CHRM1CXCR3
SCHEMBL17543021 0.84 GRIN2C (0.36) CHRM1CXCR3
SCHEMBL17542932 0.83 GHSR (0.34) KDM4EACHEALDH1A1LMNACHRM1
SCHEMBL17543137 0.83 GHSR (0.34) KDM4EACHEALDH1A1LMNACHRM1
SCHEMBL17542930 0.83 GHSR (0.34) KDM4EACHEALDH1A1LMNACHRM1

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 KDM4E 3721/4885ACHE 1159/4885SLC18A3 3684/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KDM4E 3721/4885ACHE 1159/4885SLC18A3 3684/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KDM4E 3721/4885ACHE 1159/4885SLC18A3 3684/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KDM4E 3721/4885ACHE 1159/4885SLC18A3 3684/4885

“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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