SCHEMBL17543773

SCHEMBL17543773

O=C1CCN(c2ccc(OC(F)(F)F)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 1/20 0.52
FFAR4 Q5NUL3 5/20 0.45
CHRM4 P08173 1/20 0.43
OPRL1 P41146 1/20 0.41
CHRM5 P08912 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
NPY2R P49146 1/20 0.39
HSD11B1 P28845 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TACR1 P25103 2/20 0.38

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
SCHEMBL17543193 0.85 FFAR4 (0.46) ALDH1A1KMT2AFFAR4CHRM5HSD11B1
SCHEMBL17543623 0.84 ALDH1A1 (0.54) ALDH1A1KMT2AFFAR4HSD11B1SMN1; SMN2
SCHEMBL17543576 0.82 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17544091 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17543645 0.81 FFAR4 (0.53) FFAR4CHRM5HSD11B1HCRTR1HCRTR2
SCHEMBL5204252 0.78 ALDH1A1 (0.51) ALDH1A1KMT2ANPY2RSMN1; SMN2
SCHEMBL17543337 0.78 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17543935 0.77 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5540336 0.76 KCNA5 (0.49) ALDH1A1KMT2AFFAR4CHRM4HSD11B1
SCHEMBL17543422 0.76 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2

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

“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.