SCHEMBL17543221

SCHEMBL17543221

O=C1CCN(c2c(F)cccc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NOTUM Q6P988 2/20 0.37
DAO P14920 2/20 0.37
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37
CYP2A13 Q16696 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTR1A P08908 1/20 0.35
C5AR1 P21730 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
MPI P34949 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23064539 0.82 ALDH1A1 (0.48) KMT2AALDH1A1MAPTCYP2A13KDM4E
SCHEMBL30079434 0.79 ALDH1A1 (0.43) PDE7AKMT2AALDH1A1MAPTKDM4E
SCHEMBL21447982 0.77 DRD2 (0.54) ALDH1A1HTR1A
SCHEMBL1375448 0.77 CYP2A13 (0.37) PDE7AKMT2AALDH1A1MAPTNOTUM
SCHEMBL30241928 0.76 ALDH1A1 (0.40) KMT2AALDH1A1MAPTNOTUMPKM
SCHEMBL17543702 0.76 KMT2A (0.38) KMT2AALDH1A1MAPTMEN1L3MBTL1
SCHEMBL30079590 0.75 HTR3E (0.47) KMT2ANOTUMC5AR1MEN1
SCHEMBL30079381 0.74 L3MBTL1 (0.40) KMT2AALDH1A1MAPTKDM4EC5AR1
SCHEMBL17543135 0.73 KMT2A (0.41) KMT2AALDH1A1
SCHEMBL17542732 0.72 SMN1; SMN2 (0.40) KMT2AALDH1A1CYP2A13KDM4EHTR1A

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 PDE7A 3471/4885KMT2A 2525/4885ALDH1A1 1458/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PDE7A 3471/4885KMT2A 2525/4885ALDH1A1 1458/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PDE7A 3471/4885KMT2A 2525/4885ALDH1A1 1458/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PDE7A 3471/4885KMT2A 2525/4885ALDH1A1 1458/4885

“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.