SCHEMBL787601

SCHEMBL787601

CCCn1c(=O)c2[nH]c(C3C4CC5CC(C4)C3C5)nc2n(CCC)c1=O

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.64
ADORA1 P30542 8/20 0.63
ADORA2A P29274 5/20 0.59
ADORA3 P0DMS8 3/20 0.59
MEN1 O00255 1/20 0.59
GMNN O75496 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
TSHR P16473 1/20 0.59
PMP22 Q01453 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59

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
SCHEMBL3068195 1.00 ADORA2B (0.64) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL13464478 0.81 ADORA2B (0.73) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL8005373 0.81 ADORA1 (0.76) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL4990200 0.80 ADORA1 (0.62) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL7431499 0.79 ADORA1 (0.70) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL7439146 0.79 ADORA1 (0.70) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL4982699 0.79 ADORA1 (0.66) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL14343537 0.79 ADORA1 (0.74) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL3696129 0.78 ADORA1 (0.66) ADORA2BADORA1ADORA2AADORA3MEN1
SCHEMBL4986845 0.78 ADORA1 (0.69) ADORA2BADORA1ADORA2AADORA3MEN1

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-2616817-A2 METHODS OF USE AND KIT FOR MEASUREMENT OF LIPOPOLYSACCHARIDE WITH A TIME RESOLVED FLUORESCENCE BASED ASSAY Endacea, Inc. (US) 2013-07-24 EP disclosed
US-20130183696-A1 METHODS OF USE AND KIT FOR MEASUREMENT OF LIPOPOLYSACCHARIDE WITH A TIME RESOLVED FLUORESCENCE BASED ASSAY WILSON CONSTANCE NEELY (US) 2013-07-18 US disclosed
WO-2012037361-A2 METHODS OF USE AND KIT FOR MEASUREMENT OF LIPOPOLYSACCHARIDE WITH A TIME RESOLVED FLUORESCENCE BASED ASSAY ENDACEA, INC. (US) 2012-03-22 WO disclosed
EP-0794963-B1 XANTHINE DERIVATIVES COMPOUNDS USEFUL FOR ACTIVATING CHLORIDE CONDUCTANCE IN ANIMAL CELLS US HEALTH (US) 2005-06-01 EP disclosed
US-20030114375-A1 Method for treating cystic fibrosis THE GOVERNMENT OF THE USA, DEPT OF HEALTH AND HUMAN SERVICES, THE NATIONAL INSTITUTES OF HEALTH 2003-06-19 US disclosed
US-6083954-A ADMINISTERING PURINE DERIVATIVE US HEALTH (US) 2000-07-04 US disclosed
US-5877179-A CYSTIC FIBROSIS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-03-02 US disclosed
EP-0794963-A2 A METHOD OF IDENTIFYING CFTR-BINDING COMPOUNDS USEFUL FOR ACTIVATING CHLORIDE CONDUCTANCE IN ANIMAL CELLS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-09-17 EP disclosed
WO-1996016084-A2 A METHOD OF IDENTIFYING CFTR-BINDING COMPOUNDS USEFUL FOR ACTIVATING CHLORIDE CONDUCTANCE IN ANIMAL CELLS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-05-30 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-20030114375-A1 Method for treating cystic fibrosis CFTR, ADORA1, ADORA3 ADORA2B 27/4885ADORA1 2/4885ADORA2A 20/4885

“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.