SCHEMBL17543222

SCHEMBL17543222

Fc1cc2c(cc1N1CCC3(CC1)CO3)OC(F)(F)O2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK10 P53779 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
SLC6A2 P23975 5/20 0.34
SLC6A3 Q01959 5/20 0.34
SLC6A4 P31645 4/20 0.34
NPY5R Q15761 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
TSHR P16473 1/20 0.31
KIT P10721 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL17543322 0.77 MCHR1 (0.40) KIT
SCHEMBL17543463 0.76 SMN1; SMN2 (0.38) ALDH1A1ALOX15MAPK10HSD17B10PDE3B
SCHEMBL17543631 0.76 ALDH1A1 (0.46) ALDH1A1ALOX15MAPK10HSD17B10PDE3B
SCHEMBL17543670 0.74 ADRA1B (0.43) ALDH1A1PDE3BPDE3ASLC6A2SLC6A3
SCHEMBL17543661 0.73 FFAR4 (0.46) ALDH1A1PDE3BPDE3ASLC6A2SLC6A3
SCHEMBL17543002 0.73 ALDH1A1 (0.43) ALDH1A1PDE3BPDE3ASLC6A2SLC6A3
SCHEMBL17543482 0.73 ALDH1A1 (0.38) ALDH1A1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL17543209 0.73 SMN1; SMN2 (0.33) ALDH1A1ALOX15MAPK10HSD17B10PDE3B
SCHEMBL17543300 0.72 ALDH1A1 (0.42) ALDH1A1PDE3BPDE3ASLC6A2SLC6A3
SCHEMBL30116237 0.72 SMN1; SMN2 (0.43) ALDH1A1PDE3BPDE3ASLC6A2SLC6A3

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 ALDH1A1 1458/4885ALOX15 3572/4885MAPK10 1076/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD ALDH1A1 1458/4885ALOX15 3572/4885MAPK10 1076/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ALDH1A1 1458/4885ALOX15 3572/4885MAPK10 1076/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ALDH1A1 1458/4885ALOX15 3572/4885MAPK10 1076/4885

“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.