SCHEMBL17543251

SCHEMBL17543251

CCOc1cc(F)c(N2CCC3(CC2)OCCO3)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
ALDH1A1 P00352 11/20 0.40
KMT2A Q03164 4/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
CES2 O00748 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 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
SCHEMBL17543468 0.89 FFAR4 (0.43) FFAR4ALDH1A1KMT2AHTTLMNA
SCHEMBL17543651 0.86 FFAR4 (0.44) FFAR4ALDH1A1KMT2AHTTLMNA
SCHEMBL2766538 0.84 FFAR4 (0.51) FFAR4ALDH1A1KMT2AHTTHSD17B10
SCHEMBL17893742 0.80 FFAR4 (0.41) FFAR4ALDH1A1KMT2AHTTTSHR
SCHEMBL8110121 0.78 NCF1 (0.47) ALDH1A1LMNAMAPT
SCHEMBL17543962 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AHTTLMNAHSD17B10
SCHEMBL17543398 0.77 PDE4D (0.43) FFAR4ALDH1A1KMT2AHTTLMNA
SCHEMBL17544285 0.74 SLC6A2 (0.43) FFAR4ALDH1A1KMT2AHTTLMNA
SCHEMBL17542637 0.74 FFAR4 (0.44) FFAR4ALDH1A1KMT2AHTTTSHR
SCHEMBL17893651 0.74 ALDH1A1 (0.41) ALDH1A1KMT2AHTTHSD17B10TSHR

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 FFAR4 4026/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD FFAR4 4026/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD FFAR4 4026/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD FFAR4 4026/4885ALDH1A1 1458/4885KMT2A 2525/4885

“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.