SCHEMBL17543740

SCHEMBL17543740

FC(F)(F)Oc1ccc(N2CCC3(CC2)CO3)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 15/20 0.55
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ADRA1A P35348 1/20 0.38
NPY5R Q15761 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL17542943 0.93 FFAR4 (0.62) FFAR4DRD3KCNH2FFAR1
SCHEMBL17543020 0.86 FFAR4 (0.51) FFAR4DRD3KCNH2SLC6A2SLC6A4
SCHEMBL17543467 0.85 FFAR4 (0.50) FFAR4DRD3KCNH2
SCHEMBL17543677 0.84 FFAR4 (0.43) FFAR4DRD3
SCHEMBL21233628 0.80 FFAR4 (0.60) FFAR4DRD3KCNH2SLC6A2SLC6A4
SCHEMBL17543652 0.79 FFAR4 (0.57) FFAR4DRD3FFAR1
SCHEMBL17542688 0.77 SMN1; SMN2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL17543013 0.76 FFAR4 (0.40) FFAR4DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL17543711 0.76 SMN1; SMN2 (0.50)
SCHEMBL17543193 0.76 FFAR4 (0.46) FFAR4DRD3

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 6 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
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 (3 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 1795/4885KCNH2 2221/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD FFAR4 4026/4885DRD3 1795/4885KCNH2 2221/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD FFAR4 4026/4885DRD3 1795/4885KCNH2 2221/4885

“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.