SCHEMBL17543209

SCHEMBL17543209

CC(C)c1cc(N2CCC3(CC2)CO3)c(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL17543463 0.83 SMN1; SMN2 (0.38) SMN1; SMN2PDE3BPDE3AHTR1ADRD2
SCHEMBL17543002 0.82 ALDH1A1 (0.43) SMN1; SMN2PDE3BPDE3AALDH1A1SLC6A2
SCHEMBL17543434 0.81 PPOX (0.47) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL17543333 0.78 PPOX (0.45) SMN1; SMN2ALDH1A1HSD17B10SLC6A2SLC6A4
SCHEMBL17543727 0.78 SMN1; SMN2 (0.36) SMN1; SMN2PDE3BPDE3AALDH1A1ALOX15
SCHEMBL17542810 0.78 PPOX (0.47) ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL17543389 0.77 SMN1; SMN2 (0.38) SMN1; SMN2PDE3BPDE3AALDH1A1HSD17B10
SCHEMBL17543326 0.76 ALDH1A1 (0.32) SMN1; SMN2PDE3BPDE3AALDH1A1SLC6A2
SCHEMBL17542823 0.76 ALDH1A1 (0.43) HTR1ADRD2DRD4ADRA1DHTR1B
SCHEMBL17543955 0.74 SMN1; SMN2 (0.38) SMN1; SMN2PDE3BPDE3AALDH1A1SLC6A2

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 SMN1; SMN2 4767/4885PDE3B 3735/4885PDE3A 4192/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885PDE3B 3735/4885PDE3A 4192/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885PDE3B 3735/4885PDE3A 4192/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885PDE3B 3735/4885PDE3A 4192/4885

“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.