SCHEMBL17543285

SCHEMBL17543285

Cc1cc(N2CCC(=O)CC2)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.46
ALDH1A1 P00352 9/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 4/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 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
SCHEMBL17543527 0.85 ALDH1A1 (0.49) ALDH1A1KMT2ATSHRMEN1PSMD14
SCHEMBL31342239 0.85 ALDH1A1 (0.49) ADAMTS5ALDH1A1KMT2ATSHRHTT
SCHEMBL17543004 0.85 ALDH1A1 (0.49) ADAMTS5ALDH1A1KMT2ATSHRHTT
SCHEMBL17543214 0.81 ALDH1A1 (0.43) ADAMTS5ALDH1A1KMT2ATSHRHTT
SCHEMBL17543889 0.80 PPOX (0.54) ALDH1A1KMT2ATSHRHTTMAPT
SCHEMBL17542823 0.80 ALDH1A1 (0.43) ADAMTS5ALDH1A1KMT2ATSHRHPGD
SCHEMBL30609671 0.79 ALDH1A1 (0.57) ADAMTS5ALDH1A1TSHRMAPTLMNA
SCHEMBL10063586 0.79 ALDH1A1 (0.57) ADAMTS5ALDH1A1TSHRMAPTLMNA
SCHEMBL17543608 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL17543547 0.78 ALDH1A1 (0.41) ADAMTS5ALDH1A1KMT2ATSHRMEN1

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 8 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
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 ADAMTS5 4403/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD ADAMTS5 4403/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ADAMTS5 4403/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ADAMTS5 4403/4885ALDH1A1 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.