SCHEMBL17543747

SCHEMBL17543747

O=C1CCc2c(cc(F)cc2OCc2ccccc2)N1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.53
MAOA P21397 9/20 0.53
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
KDM1A O60341 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
BRD4 O60885 2/20 0.43
CREBBP Q92793 1/20 0.43
PTPN1 P18031 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCOA3 Q9Y6Q9 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
SCHEMBL18050048 0.81 BRD4 (0.55) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL6405506 0.81 KDM1A (0.45) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL29711788 0.77 MAOB (0.63) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL28532774 0.77 MAOB (0.63) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL17543446 0.77 MAOA (0.44) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL17543140 0.77 MAOA (0.44) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL23674659 0.76 KDM1A (0.53) MAOBMAOAKDM1AL3MBTL1LMNA
SCHEMBL30112197 0.76 KDM1A (0.53) MAOBMAOAKDM1AL3MBTL1LMNA
SCHEMBL17543332 0.75 PKM (0.39) CYP19A1CYP11B1CYP11B2L3MBTL1CREBBP
SCHEMBL14865958 0.72 MAOB (0.63) MAOBMAOACYP19A1CYP11B1CYP11B2

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 MAOB 712/4885MAOA 1747/4885CYP19A1 4720/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD MAOB 712/4885MAOA 1747/4885CYP19A1 4720/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MAOB 712/4885MAOA 1747/4885CYP19A1 4720/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MAOB 712/4885MAOA 1747/4885CYP19A1 4720/4885

“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.