SCHEMBL17544285

SCHEMBL17544285

CCOc1cc(N2CCC3(CC2)CO3)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
FFAR4 Q5NUL3 2/20 0.39
HTT P42858 2/20 0.38
PKM P14618 1/20 0.37
GAA P10253 3/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
PPOX P50336 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 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
SCHEMBL17542637 0.95 FFAR4 (0.44) SLC6A2SLC6A4SLC6A3FFAR4HTT
SCHEMBL17543651 0.88 FFAR4 (0.44) SLC6A2SLC6A4SLC6A3FFAR4HTT
SCHEMBL17542810 0.88 PPOX (0.47) SLC6A2SLC6A4SLC6A3FFAR4HTT
SCHEMBL17543661 0.85 FFAR4 (0.46) SLC6A2SLC6A4SLC6A3FFAR4ALDH1A1
SCHEMBL17543482 0.82 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3FFAR4HTT
SCHEMBL17542861 0.80 ACACB (0.43) GAAALDH1A1MAPTKDM4EMEN1
SCHEMBL17543468 0.80 FFAR4 (0.43) SLC6A2SLC6A4SLC6A3FFAR4HTT
SCHEMBL17542929 0.80 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3FFAR4HTT
SCHEMBL17542947 0.79 FFAR4 (0.38) SLC6A2SLC6A4SLC6A3FFAR4HTT
SCHEMBL17543218 0.79 PPOX (0.49) SLC6A2SLC6A4SLC6A3HTTKDM4E

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 SLC6A2 1308/4885SLC6A4 3031/4885SLC6A3 1578/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD SLC6A2 1308/4885SLC6A4 3031/4885SLC6A3 1578/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SLC6A2 1308/4885SLC6A4 3031/4885SLC6A3 1578/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SLC6A2 1308/4885SLC6A4 3031/4885SLC6A3 1578/4885

“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.