SCHEMBL17543991

SCHEMBL17543991

c1cnc2ccc(N3CCC4(CC3)CO4)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 2/20 0.43
PSMD14 O00487 1/20 0.43
MMP2 P08253 1/20 0.43
ACACB O00763 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17543814 0.82 GAA (0.59) KDM4EMAPTGAANPC1RAB9A
SCHEMBL28874935 0.82 TERT (0.56) CHRNA7NCOA3ALDH1A1KDM4EMAPT
SCHEMBL27778735 0.81 CBFB (0.55) CHRNA7NCOA3ALDH1A1KDM4EMAPT
SCHEMBL28306659 0.80 TERT (0.57) CHRNA7NCOA3ALDH1A1KDM4EMAPT
SCHEMBL30604103 0.79 CHRNA7 (0.43) CHRNA7NCOA3ALDH1A1KDM4EMAPT
SCHEMBL4212685 0.78 GAA (0.67) CHRNA7NCOA3ALDH1A1KDM4EMAPT
SCHEMBL2418717 0.78 HTR3E (0.61) CHRNA7NCOA3ALDH1A1KDM4EMAPT
SCHEMBL31428461 0.77 CHRNA7 (0.50) CHRNA7NCOA3ALDH1A1KDM4EMAPT
SCHEMBL4216672 0.75 CHRNA7 (0.54) CHRNA7NCOA3ALDH1A1KDM4EMAPT
SCHEMBL27953905 0.74 AKR1C3 (0.60) CHRNA7NCOA3ALDH1A1KDM4EMAPT

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 CHRNA7 2487/4885NCOA3 2821/4885ALDH1A1 1458/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD CHRNA7 2487/4885NCOA3 2821/4885ALDH1A1 1458/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRNA7 2487/4885NCOA3 2821/4885ALDH1A1 1458/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRNA7 2487/4885NCOA3 2821/4885ALDH1A1 1458/4885

“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.