Sugi Predict

Sugi Predict / Compounds / SCHEMBL17543192

SCHEMBL17543192

SCHEMBL17543192

CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O[C@H](c1ccnc2ccc(OC)cc12)[C@@H]1C[C@@H]2CCN1C[C@@H]2CC)c1ccnc2ccc(OC)cc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 10/20 0.80
▸ KDM4E B2RXH2 6/20 0.80
▸ ALDH1A1 P00352 5/20 0.80
▸ HSD17B10 Q99714 5/20 0.80
▸ CYP3A4 P08684 4/20 0.80
▸ ADRA2A P08913 4/20 0.80
▸ SLC6A4 P31645 4/20 0.80
▸ OPRM1 P35372 4/20 0.80
▸ KCNH2 Q12809 4/20 0.80
▸ HPGD P15428 3/20 0.80
▸ TSHR P16473 2/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ SLC6A3 Q01959 2/20 0.80
▸ CHRM2 P08172 1/20 0.80
▸ SCN1A P35498 4/20 0.65
▸ SCN2A Q99250 4/20 0.65
▸ SCN3A Q9NY46 4/20 0.65
▸ LMNA P02545 1/20 0.63
▸ CALCRL Q16602 1/20 0.59

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
SCHEMBL17543030 1.00 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL8563704 0.95 CYP2D6 (0.76) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL522675 0.94 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL10066282 0.94 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL1322372 0.94 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL10066281 0.94 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL9766377 0.93 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL4489816 0.93 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL14479807 0.93 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL8378300 0.93 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421454-B9 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-08-09 — — EP disclosed
EP-3421454-B1 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-04-05 — — EP disclosed
CN-108884044-B Piperidine derivatives 大塚制药株式会社 2023-01-31 — — CN disclosed
US-10851079-B2 Piperidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-12-01 — — US disclosed
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-20190040039-A1 PIPERIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-07 — — US disclosed
EP-3421454-A1 PIPERIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2019-01-02 — — 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
CN-106795117-A Heterobicyclic compounds and their use for the treatment of tuberculosis 大塚制药株式会社 2017-05-31 — — CN 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 (6 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 CYP2D6 431/4885KDM4E 3721/4885ALDH1A1 1458/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD CYP2D6 431/4885KDM4E 3721/4885ALDH1A1 1458/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CYP2D6 431/4885KDM4E 3721/4885ALDH1A1 1458/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CYP2D6 431/4885KDM4E 3721/4885ALDH1A1 1458/4885
US-10851079-B2 Piperidine derivative EP300, SLC11A2, TBC1D5 CYP2D6 3884/4885KDM4E 1265/4885ALDH1A1 97/4885
US-20190040039-A1 PIPERIDINE DERIVATIVE EP300, SLC11A2, TBC1D5 CYP2D6 3884/4885KDM4E 1265/4885ALDH1A1 97/4885

“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.