SCHEMBL17542889

SCHEMBL17542889

O[C@@H]1CN(c2ccc(Br)cc2F)CC[C@@]12CO2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FPR3 P25089 1/20 0.32
▸ FPR2 P25090 1/20 0.32

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
SCHEMBL17542888 1.00 ALDH1A1 (0.37) ALDH1A1HPGDSLC6A5MAPTTSHR
SCHEMBL17543920 0.85 KMT2A (0.37) ALDH1A1MAPTTSHRGAACCR1
SCHEMBL17542993 0.85 KMT2A (0.37) ALDH1A1MAPTTSHRGAACCR1
SCHEMBL17543704 0.83 — —
SCHEMBL17543181 0.83 — —
SCHEMBL17543300 0.76 ALDH1A1 (0.42) ALDH1A1HPGDSLC6A5MAPTTSHR
SCHEMBL27009114 0.74 F10 (0.39) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL27009296 0.74 F10 (0.39) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL17543099 0.72 NOTUM (0.43) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL17543764 0.72 NOTUM (0.43) ALDH1A1HPGDMAPTTSHRLMNA

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 13 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
US-10851079-B2 Piperidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-12-01 — — US disclosed
US-10851079-B2 Piperidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-12-01 — — US 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
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 ALDH1A1 1458/4885HPGD 2746/4885SLC6A5 1603/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD ALDH1A1 1458/4885HPGD 2746/4885SLC6A5 1603/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ALDH1A1 1458/4885HPGD 2746/4885SLC6A5 1603/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ALDH1A1 1458/4885HPGD 2746/4885SLC6A5 1603/4885
US-10851079-B2 Piperidine derivative EP300, SLC11A2, TBC1D5 ALDH1A1 97/4885HPGD 2495/4885SLC6A5 1776/4885
US-20190040039-A1 PIPERIDINE DERIVATIVE EP300, SLC11A2, TBC1D5 ALDH1A1 97/4885HPGD 2495/4885SLC6A5 1776/4885

“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.

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