SCHEMBL17543735

SCHEMBL17543735

COc1ccc(CN2C(=O)CCc3c(OCC4(CO)CCN(c5ccc(Cl)cc5Cl)CC4)ccc(F)c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MDM2 Q00987 2/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ PHGDH O43175 1/20 0.33
▸ HPGD P15428 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
SCHEMBL17543308 0.89 SMN1; SMN2 (0.36) HTTNPSR1MEN1POLBKMT2A
SCHEMBL17543335 0.89 PTGDR2 (0.39) HTTNPSR1PTGDR2POLBKDM4E
SCHEMBL17543590 0.86 KMT2A (0.39) HTTPTGDR2MEN1POLBKMT2A
SCHEMBL17543767 0.85 TRPV4 (0.37) HTTNPSR1PTGDR2KDM4EALDH1A1
SCHEMBL17543768 0.85 TRPV4 (0.37) HTTNPSR1PTGDR2KDM4EALDH1A1
SCHEMBL17543284 0.85 LMNA (0.37) MEN1POLBKMT2ALMNAKDM4E
SCHEMBL17543674 0.84 PTGDR2 (0.39) HTTNPSR1PTGDR2POLBHTR1A
SCHEMBL17543438 0.84 ALDH1A1 (0.38) HTTMEN1POLBKMT2ALMNA
SCHEMBL17543489 0.84 DDB1 (0.35) HTTNPSR1PTGDR2MEN1KMT2A
SCHEMBL17543066 0.84 PTGDR2 (0.37) HTTNPSR1PTGDR2POLBLMNA

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 HTT 3769/4885NPSR1 3278/4885PTGDR2 3993/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD HTT 3769/4885NPSR1 3278/4885PTGDR2 3993/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD HTT 3769/4885NPSR1 3278/4885PTGDR2 3993/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD HTT 3769/4885NPSR1 3278/4885PTGDR2 3993/4885

“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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