SCHEMBL17543253

SCHEMBL17543253

CCOCc1ccc(N2CCC3(CC2)OCCO3)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
LGMN Q99538 1/20 0.38
ALDH1A1 P00352 7/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
MAPK8 P45983 2/20 0.36
MAPK10 P53779 2/20 0.36
NPC1 O15118 2/20 0.36
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL17543177 0.86 L3MBTL1 (0.39) L3MBTL1ALDH1A1LMNAHPGDMAPT
SCHEMBL17543962 0.80 ALDH1A1 (0.50) L3MBTL1LGMNALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL254023 0.80 LGMN (0.43) LGMNALDH1A1LMNAGAAHPGD
SCHEMBL8257736 0.78 HTR6 (0.52) L3MBTL1
SCHEMBL35212176 0.78 ALDH1A1 (0.46) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL31342819 0.78 ALDH1A1 (0.46) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL10278481 0.78 LGMN (0.39) L3MBTL1LGMNALDH1A1LMNAGAA
SCHEMBL17543098 0.77 ALDH1A1 (0.49) L3MBTL1ALDH1A1LMNAGAAHPGD
SCHEMBL24880834 0.76 ALDH1A1 (0.46) L3MBTL1LGMNALDH1A1LMNAGAA
SCHEMBL14485084 0.76 NPC1 (0.52) L3MBTL1LGMNALDH1A1LMNAGAA

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 L3MBTL1 1211/4885LGMN 2660/4885ALDH1A1 1458/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD L3MBTL1 1211/4885LGMN 2660/4885ALDH1A1 1458/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD L3MBTL1 1211/4885LGMN 2660/4885ALDH1A1 1458/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD L3MBTL1 1211/4885LGMN 2660/4885ALDH1A1 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.