SCHEMBL17542966

SCHEMBL17542966

COc1ccc(CN2C(=O)CCc3c(OCC4(C(=O)O)CCN(c5ccc(C(F)(F)F)cc5F)CC4)ccc(F)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.39
▸ CACNA1G O43497 2/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ SRPK1 Q96SB4 1/20 0.36
▸ MC4R P32245 4/20 0.35
▸ PTGDR2 Q9Y5Y4 3/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ EDNRB P24530 1/20 0.34
▸ EDNRA P25101 1/20 0.34

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
SCHEMBL17543175 0.95 KCNH2 (0.39) KCNH2CACNA1GFFAR4MEN1KMT2A
SCHEMBL17544008 0.92 DDB1 (0.38) MGLLPTGDR2
SCHEMBL17543674 0.92 PTGDR2 (0.39) KCNH2FFAR4PTGDR2
SCHEMBL17543383 0.92 KMT2A (0.38) KCNH2CACNA1GMEN1KMT2ASRPK1
SCHEMBL17543094 0.91 TP53 (0.35) KCNH2CACNA1GMEN1KMT2APTGDR2
SCHEMBL17542975 0.90 PTGDR2 (0.34) KCNH2CACNA1GFFAR4MEN1KMT2A
SCHEMBL17543813 0.89 PTGDR2 (0.38) KCNH2CACNA1GFFAR4PTGDR2
SCHEMBL17542956 0.89 MC4R (0.35) FFAR4MEN1KMT2ASRPK1MC4R
SCHEMBL17543335 0.89 PTGDR2 (0.39) KCNH2FFAR4PTGDR2
SCHEMBL17542910 0.88 PTGDR2 (0.34) KCNH2CACNA1GFFAR4PTGDR2

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 KCNH2 2221/4885CACNA1G 1907/4885FFAR4 4026/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KCNH2 2221/4885CACNA1G 1907/4885FFAR4 4026/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KCNH2 2221/4885CACNA1G 1907/4885FFAR4 4026/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KCNH2 2221/4885CACNA1G 1907/4885FFAR4 4026/4885

“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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