SCHEMBL17543002

SCHEMBL17543002

Cc1cc(N2CCC3(CC2)CO3)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
ADAMTS5 Q9UNA0 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PSMD14 O00487 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
THRB P10828 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL17543240 0.86 ALDH1A1 (0.46) ALDH1A1TSHRHTTSMN1; SMN2MAPT
SCHEMBL17543463 0.86 SMN1; SMN2 (0.38) ALDH1A1TSHRSMN1; SMN2HPGDMEN1
SCHEMBL17542899 0.84 ALDH1A1 (0.45) ALDH1A1ADAMTS5TSHRHTTMAPT
SCHEMBL17543333 0.82 PPOX (0.45) ALDH1A1TSHRHTTSMN1; SMN2MAPT
SCHEMBL17543209 0.82 SMN1; SMN2 (0.33) ALDH1A1TSHRHTTSMN1; SMN2HPGD
SCHEMBL17543727 0.82 SMN1; SMN2 (0.36) ALDH1A1ADAMTS5TSHRHTTSMN1; SMN2
SCHEMBL17543389 0.80 SMN1; SMN2 (0.38) ALDH1A1TSHRHTTSMN1; SMN2MAPT
SCHEMBL17543326 0.80 ALDH1A1 (0.32) ALDH1A1ADAMTS5HTTSMN1; SMN2MAPT
SCHEMBL17542810 0.79 PPOX (0.47) ALDH1A1TSHRHTTMAPTMEN1
SCHEMBL17543434 0.79 PPOX (0.47) ALDH1A1MEN1KMT2ASLC6A2SLC6A4

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 1458/4885ADAMTS5 4403/4885TSHR 871/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD ALDH1A1 1458/4885ADAMTS5 4403/4885TSHR 871/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ALDH1A1 1458/4885ADAMTS5 4403/4885TSHR 871/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ALDH1A1 1458/4885ADAMTS5 4403/4885TSHR 871/4885

“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.