SCHEMBL5166643

SCHEMBL5166643

CCc1c(C#N)cc2ccccc2c1CI

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.40
DYRK1A Q13627 2/20 0.40
NCOA3 Q9Y6Q9 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
HTR2A P28223 1/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
KDM5A P29375 1/20 0.33
IMPDH2 P12268 2/20 0.33
IMPDH1 P20839 1/20 0.33
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
ANPEP P15144 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
SCHEMBL5169185 0.84 CLK1 (0.40) CLK1DYRK1ANCOA3L3MBTL1HTR2A
SCHEMBL5184087 0.83 CLK1 (0.39) CLK1DYRK1ANCOA3L3MBTL1HTR2A
SCHEMBL4874905 0.79 CLK1 (0.41) CLK1DYRK1ANCOA3L3MBTL1HTR2A
SCHEMBL4657181 0.78 ALDH1A1 (0.51) CLK1DYRK1ANCOA3CA1CA2
SCHEMBL4657296 0.77 CLK1 (0.39) CLK1DYRK1ANCOA3L3MBTL1HTR2A
SCHEMBL4657300 0.76 L3MBTL1 (0.40) CLK1DYRK1ANCOA3L3MBTL1CA1
SCHEMBL30657021 0.75 CA1 (0.46) L3MBTL1CA1CA2KDM4EALDH1A1
SCHEMBL21939922 0.75 CA1 (0.46) L3MBTL1CA1CA2KDM4EALDH1A1
SCHEMBL4031840 0.74 KDM4E (0.39) CLK1DYRK1ANCOA3L3MBTL1CA1
SCHEMBL6603195 0.72 POLB (0.42) L3MBTL1KDM4EALDH1A1GAAKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2007-08-30 US disclosed
CN-1956968-A Aryl glycinamide derivatives and their use as NK1 antagonists and 5-serotonin reuptake inhibithors ASTRAZENECA AB (SE) 2007-05-02 CN disclosed
EP-1581495-B1 4-aryl-4-(naphth-1-ylmethylamino)methyl-piperidine compounds and their use ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
EP-1740553-A1 ARYL GLYCINAMIDE DERIVATIVES AND THEIR USE AS NK1 ANTAGONISTS AND SEROTONIN REUPTAKE INHIBITHORS AstraZeneca AB (SE) 2007-01-10 EP disclosed
US-20060058352-A1 Piperidine amine compounds and their use ASTRAZENECA AB (SE) 2006-03-16 US disclosed
WO-2005100325-A1 ARYL GLYCINAMIDE DERIVATIVES AND THEIR USE AS NK1 ANTAGONISTS AND SEROTONIN REUPTAKE INHIBITHORS ASTRAZENECA AB (SE) 2005-10-27 WO disclosed
EP-1581495-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-10-05 EP disclosed
WO-2004056771-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-08 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 (2 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-20060058352-A1 Piperidine amine compounds and their use HRH3, H1-5, H1-0 CLK1 4271/4885DYRK1A 4704/4885NCOA3 2990/4885
US-20070203139-A1 Aryl Glycinamide Derivatives And Their Use As Nk1 Antagonists And Serotonin Reuptake Inhibitors TPH1, NTSR1, HTR1D CLK1 3649/4885DYRK1A 1071/4885NCOA3 3557/4885

“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.