SCHEMBL8325895

SCHEMBL8325895

CCC1CCc2cccnc2N1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MTNR1A P48039 3/20 0.36
IDH1 O75874 3/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
GSK3B P49841 1/20 0.33
CYP2D6 P10635 2/20 0.33
AR P10275 2/20 0.33

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
SCHEMBL8039039 0.78 GSK3B (0.39) DRD2DRD3IDH1HTR2AHTR2C
SCHEMBL15529909 0.75 IDH1 (0.39) DRD2IDH1HTR2AHTR2CHTR2B
SCHEMBL483331 0.75 HTR2A (0.37) IDH1HTR2AHTR2CHTR2BGSK3B
SCHEMBL18068274 0.74 PDPK1 (0.38) DRD2DRD3IDH1HTR2AHTR2C
SCHEMBL18067769 0.74 IDH1 (0.36) DRD2DRD3IDH1HTR2AHTR2C
SCHEMBL23583899 0.74 DRD3 (0.38) DRD2DRD3IDH1GSK3BCYP2D6
SCHEMBL29482177 0.74 IDH1 (0.38) MTNR1AIDH1
SCHEMBL29482176 0.74 IDH1 (0.38) MTNR1AIDH1
SCHEMBL31445834 0.74 GRIN2B (0.48) GRIN1GRIN2BCYP2D6
SCHEMBL19892039 0.73 HTR2A (0.38) HTR2AHTR2CHTR2B

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
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2016-10-13 US disclosed
US-9345739-B2 Methods and compositions for the treatment of proteinuric diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-05-24 US disclosed
EP-2730282-A1 Methods and compositions for the treatment of proteinuric diseases The General Hospital Corporation (US) 2014-05-14 EP disclosed
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION 2010-11-25 US disclosed
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION 2010-11-25 US disclosed
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
US-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 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 (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-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC DRD2 4797/4885DRD3 4395/4885MTNR1A 2866/4885
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 DRD2 680/4885DRD3 807/4885MTNR1A 1513/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC DRD2 4797/4885DRD3 4395/4885MTNR1A 2866/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B DRD2 2641/4885DRD3 2048/4885MTNR1A 1769/4885

“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.