SCHEMBL17543135

SCHEMBL17543135

O=C1CCN(c2c(F)cc(Cl)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
ADRB1 P08588 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAOA P21397 1/20 0.31
HSD11B1 P28845 2/20 0.31
HRH4 Q9H3N8 2/20 0.31
RAD51 Q06609 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 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
SCHEMBL17543702 0.91 KMT2A (0.38) KMT2AALDH1A1CHRM2CHRM4ADRB1
SCHEMBL17543121 0.88 KMT2A (0.36) KMT2AALDH1A1PDE3BPDE3AHSD11B1
SCHEMBL17542804 0.88 KMT2A (0.36) KMT2AALDH1A1
SCHEMBL17543544 0.84 ALDH1A1 (0.42) KMT2AALDH1A1PDE3BPDE3AHTR2C
SCHEMBL12684538 0.81 ALDH1A1 (0.41) KMT2AALDH1A1PDE3BPDE3AMAOA
SCHEMBL5622837 0.81 ALDH1A1 (0.41) KMT2AALDH1A1PDE3BPDE3AMAOA
SCHEMBL17543687 0.77 ALDH1A1 (0.59) KMT2AALDH1A1
SCHEMBL29931936 0.77 ALDH1A1 (0.59) KMT2AALDH1A1
SCHEMBL17543777 0.77 CPS1 (0.40) KMT2AALDH1A1PDE3BPDE3AADRB1
SCHEMBL17543274 0.77 HRH4 (0.31) HTR2CHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589448-A 3, 4-dihydroquinolinone derivative and application thereof 西南交通大学 2023-08-15 CN disclosed
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
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
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
EP-3421454-A1 PIPERIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2019-01-02 EP disclosed
CN-108884044-A PIPERIDINE DERIVATIVE 大塚制药株式会社 2018-11-23 CN 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 KMT2A 2525/4885ALDH1A1 1458/4885PDE3B 3735/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KMT2A 2525/4885ALDH1A1 1458/4885PDE3B 3735/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KMT2A 2525/4885ALDH1A1 1458/4885PDE3B 3735/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KMT2A 2525/4885ALDH1A1 1458/4885PDE3B 3735/4885
US-10851079-B2 Piperidine derivative EP300, SLC11A2, TBC1D5 KMT2A 1201/4885ALDH1A1 97/4885PDE3B 703/4885
US-20190040039-A1 PIPERIDINE DERIVATIVE EP300, SLC11A2, TBC1D5 KMT2A 1201/4885ALDH1A1 97/4885PDE3B 703/4885

“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.