SCHEMBL973914

SCHEMBL973914

COC(=O)/C(C#N)=C\C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 8/20 0.34
MAPT P10636 4/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 5/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TNNI3 P19429 1/20 0.33
CRHBP P24387 1/20 0.33
TNNT2 P45379 1/20 0.33
KLK7 P49862 1/20 0.33
TNNC1 P63316 1/20 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
SCHEMBL973915 1.00 APP (0.37) APPADORA2AADORA2BADORA1POLB
SCHEMBL12921463 1.00 APP (0.37) APPADORA2AADORA2BADORA1POLB
SCHEMBL4892042 0.98 APP (0.36) APPADORA2AADORA2BADORA1POLB
SCHEMBL28052737 0.81 ALDH1A1 (0.41) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL19544281 0.79 EPHX1 (0.36)
SCHEMBL2401988 0.77 GRIK1 (0.40) POLBALDH1A1CYP3A4HPGDKDM4E
SCHEMBL11442710 0.76 POLB (0.41) POLBALDH1A1CYP3A4HPGDKDM4E
SCHEMBL449227 0.76 POLB (0.41) POLBALDH1A1CYP3A4HPGDKDM4E
SCHEMBL2401932 0.76 POLB (0.41) POLBALDH1A1CYP3A4HPGDKDM4E
SCHEMBL15913328 0.75 GRIK1 (0.33) ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
EP-2268644-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2268644-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2011-01-05 EP disclosed
WO-2009109549-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-11 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 (1 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-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation COQ8A, TNNT2, TBXA2R APP 2169/4885ADORA2A 668/4885ADORA2B 698/4885

“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.