SCHEMBL17543175

SCHEMBL17543175

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.39
▸ CACNA1G O43497 2/20 0.39
▸ SRPK1 Q96SB4 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ PTGDR2 Q9Y5Y4 4/20 0.35
▸ MC4R P32245 2/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FFAR1 O14842 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
SCHEMBL17542966 0.95 KCNH2 (0.39) KCNH2CACNA1GSRPK1FFAR4MEN1
SCHEMBL17543335 0.93 PTGDR2 (0.39) KCNH2FFAR4PTGDR2NPSR1MAPT
SCHEMBL17544020 0.92 KMT2A (0.37) KCNH2CACNA1GSRPK1MEN1KMT2A
SCHEMBL17544173 0.91 PTGDR2 (0.35) KCNH2CACNA1GFFAR4MEN1KMT2A
SCHEMBL17542704 0.91 PTGDR2 (0.34) KCNH2CACNA1GFFAR4PTGDR2MAPT
SCHEMBL17543759 0.91 PTGDR2 (0.34) KCNH2CACNA1GFFAR4PTGDR2MAPT
SCHEMBL17543813 0.90 PTGDR2 (0.38) KCNH2CACNA1GFFAR4PTGDR2MAPT
SCHEMBL17543674 0.90 PTGDR2 (0.39) KCNH2FFAR4PTGDR2NPSR1MAPT
SCHEMBL17543127 0.89 NPBWR1 (0.35) SRPK1FFAR4MRGPRX4MEN1KMT2A
SCHEMBL17543066 0.89 PTGDR2 (0.37) KCNH2FFAR4PTGDR2NPSR1MAPT

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 1907/4885SRPK1 4538/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KCNH2 2221/4885CACNA1G 1907/4885SRPK1 4538/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KCNH2 2221/4885CACNA1G 1907/4885SRPK1 4538/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KCNH2 2221/4885CACNA1G 1907/4885SRPK1 4538/4885

“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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