SCHEMBL7284283

SCHEMBL7284283

O=C1CCN(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
NOTUM Q6P988 1/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A3 P47895 2/20 0.47
BCL2A1 Q16548 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA1B P35368 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
ALDH3A1 P30838 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL10407522 0.89 AKR1C3 (0.48) AKR1C3NOTUMKMT2AALDH1A3BCL2A1
SCHEMBL29931936 0.84 ALDH1A1 (0.59) KMT2AALDH1A1LMNAHTTMAPK1
SCHEMBL17543687 0.84 ALDH1A1 (0.59) KMT2AALDH1A1LMNAHTTMAPK1
SCHEMBL8911623 0.81 ALDH1A3 (0.45) NOTUMKMT2AALDH1A3MEN1MAPT
SCHEMBL6309417 0.79 ALDH1A1 (0.63) AKR1C3NOTUMKMT2AALDH1A3MEN1
SCHEMBL17543923 0.79 CHRM1 (0.49) KMT2AALDH1A3MEN1MAPTALDH1A1
SCHEMBL17542897 0.78 ALDH1A1 (0.44) KMT2AALDH1A3MEN1MAPTALDH1A1
SCHEMBL17543217 0.78 ALDH1A3 (0.42) KMT2AALDH1A3MEN1MAPTHTR1A
SCHEMBL9831059 0.77 ADRA1B (0.51) NOTUMKMT2AMEN1MAPTHTR1A
SCHEMBL22653981 0.76 AKR1C3 (0.49) AKR1C3NOTUMALDH1A3BCL2A1ALDH1A1

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 12 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
EP-0240398-B1 DISSYMMETRICAL 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC-ACID DERIVATIVES, PREPARATION PROCESSES AND THERAPEUTICAL USE FOURNIER INNOVATION ET SYNERGIE (FR) 1991-05-15 EP disclosed
US-4900833-A HYPOTENSIVE AGENTS SOCIETE DE RECHERCHES INDUSTRIES (S.O.R.I.) (FR) 1990-02-13 US disclosed
US-4806544-A ENANTIOMORPHS, RACEMIC MIXTURES, HYPOTENSIVE AGENTS, CARDIOV LAR DISORDERS FOURNIER INNOVATION ET SYNERGIE (FR) 1989-02-21 US disclosed
EP-0240398-A1 Dissymmetrical 1,4-dihydropyridine-3,5-dicarboxylic-acid derivatives, preparation processes and therapeutical use FOURNIER INNOVATION ET SYNERGIE (FR) 1987-10-07 EP 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 AKR1C3 4022/4885NOTUM 1610/4885KMT2A 2525/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD AKR1C3 4022/4885NOTUM 1610/4885KMT2A 2525/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD AKR1C3 4022/4885NOTUM 1610/4885KMT2A 2525/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD AKR1C3 4022/4885NOTUM 1610/4885KMT2A 2525/4885

“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.