SCHEMBL16135603

SCHEMBL16135603

COc1ncc(CNC(=O)c2c(Cl)ccnc2OCC2CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.42
▸ KIT P10721 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ RIPK1 Q13546 5/20 0.40
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ WDR5 P61964 1/20 0.38
▸ GPR6 P46095 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ GRM4 Q14833 2/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ GRIN2B Q13224 1/20 0.36

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
SCHEMBL16135583 0.89 PDE4A (0.41) CHRM4CDK2GSK3BRIPK1PDE4A
SCHEMBL16135557 0.87 PDE4A (0.48) CHRM4CDK2GSK3BPDE4APDE4B
SCHEMBL16135693 0.85 PPARG (0.44) GSK3BWDR5GRM4
SCHEMBL16135540 0.85 PDE4A (0.46) RIPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL16135628 0.84 HDAC1 (0.41) CHRM4CDK2GSK3BPDE4APDE4B
SCHEMBL29493357 0.84 HDAC1 (0.41) CHRM4CDK2GSK3BPDE4APDE4B
SCHEMBL16135599 0.84 MT-CO2 (0.41) CHRM4GSK3BPDE4APDE4BPDE4C
SCHEMBL16135584 0.84 WDR5 (0.46) CHRM4CDK2GSK3BPDE4APDE4B
SCHEMBL16135592 0.84 WDR5 (0.46) CHRM4CDK2GSK3BPDE4APDE4B
SCHEMBL21014157 0.83 WDR5 (0.38) RIPK1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970124-B1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF UNIV LELAND STANFORD JUNIOR (US) 2019-05-22 — — EP disclosed
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-12 — — US disclosed
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-11-09 — — US disclosed
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-11-09 — — US disclosed
US-9670162-B2 Mitochondrial aldehyde dehyrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2017-06-06 — — US disclosed
US-9670162-B2 Mitochondrial aldehyde dehyrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2017-06-06 — — US disclosed
US-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-04-21 — — US disclosed
US-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-04-21 — — US disclosed
WO-2014160185-A2 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-02 — — 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 (3 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-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, SHMT2 CHRM4 4416/4885KIT 1693/4885CDK2 1509/4885
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, DLD CHRM4 4082/4885KIT 3028/4885CDK2 1360/4885
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof ALDH2, ALDH5A1, DLD CHRM4 4082/4885KIT 3028/4885CDK2 1360/4885

“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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