SCHEMBL17543193

SCHEMBL17543193

O=C1CCN(c2ccc(OC(F)(F)F)cc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.46
DRD3 P35462 1/20 0.46
CHRM5 P08912 6/20 0.43
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A3 P47895 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL17543645 0.93 FFAR4 (0.53) FFAR4DRD3CHRM5HCRTR1HCRTR2
SCHEMBL17543773 0.85 ALDH1A1 (0.52) FFAR4CHRM5ALDH1A1KMT2AHCRTR1
SCHEMBL17543213 0.82 FFAR4 (0.36) FFAR4DRD3ALDH1A1KMT2AALDH1A3
SCHEMBL5540336 0.76 KCNA5 (0.49) FFAR4ALDH1A1KMT2AHSD11B1
SCHEMBL17543740 0.76 FFAR4 (0.55) FFAR4DRD3
SCHEMBL17893529 0.76 NOTUM (0.54) FFAR4DRD3
SCHEMBL29699554 0.76 FFAR4 (0.56) FFAR4DRD3ALDH1A1KMT2A
SCHEMBL17543467 0.75 FFAR4 (0.50) FFAR4DRD3
SCHEMBL17543668 0.74 ALDH1A1 (0.41) FFAR4ALDH1A1KMT2AHCRTR1HCRTR2
SCHEMBL7284283 0.74 AKR1C3 (0.50) ALDH1A1KMT2AALDH1A3

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 9 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
CN-106795117-A Heterobicyclic compounds and their use for the treatment of tuberculosis 大塚制药株式会社 2017-05-31 CN 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 4026/4885DRD3 1795/4885CHRM5 1356/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD FFAR4 4026/4885DRD3 1795/4885CHRM5 1356/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD FFAR4 4026/4885DRD3 1795/4885CHRM5 1356/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD FFAR4 4026/4885DRD3 1795/4885CHRM5 1356/4885

“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.