SCHEMBL259789

SCHEMBL259789

N#CCC1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
NT5E P21589 1/20 0.47
SSTR1 P30872 1/20 0.46
SSTR2 P30874 1/20 0.46
SSTR4 P31391 1/20 0.46
SSTR3 P32745 1/20 0.46
SSTR5 P35346 1/20 0.46
TACR2 P21452 2/20 0.44
PTPN1 P18031 6/20 0.42
CDC25B P30305 6/20 0.42
PTPN2 P17706 2/20 0.42
PTPN6 P29350 2/20 0.42
PTPN11 Q06124 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GJB2 P29033 2/20 0.42

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
SCHEMBL17114324 1.00 HTR1A (0.50) HTR1ABCHEACHENT5ESSTR1
SCHEMBL17114325 1.00 HTR1A (0.50) HTR1ABCHEACHENT5ESSTR1
SCHEMBL260046 1.00 HTR1A (0.50) HTR1ABCHEACHENT5ESSTR1
SCHEMBL260045 1.00 HTR1A (0.50) HTR1ABCHEACHENT5ESSTR1
SCHEMBL264459 0.95 SSTR1 (0.50) HTR1ABCHEACHENT5ESSTR1
SCHEMBL259552 0.95 SSTR1 (0.50) HTR1ABCHEACHENT5ESSTR1
SCHEMBL14064149 0.95 SSTR1 (0.50) HTR1ABCHEACHENT5ESSTR1
SCHEMBL27424638 0.89 PDE2A (0.46) HTR1ABCHEACHENT5ESSTR1
SCHEMBL10409398 0.86 HTR1A (0.48) HTR1ABCHEACHENT5ESSTR1
SCHEMBL10408093 0.86 HTR1A (0.48) HTR1ABCHEACHENT5ESSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994604-B2 Pyrazolotriazolyl nucleoside analogues and oligonucleotides comprising them BIO-LAB LTD. (IL) 2018-06-12 US disclosed
US-20150141490-A1 PYRAZOLOTRIAZOLYL NUCLEOSIDE ANALOGUES AND OLIGONUCLEOTIDES COMPRISING THEM BIO-LAB LTD. (IL) 2015-05-21 US disclosed
US-20130078218-A1 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. 2013-03-28 US disclosed
EP-2537520-A1 Hepatics C therapies Biocryst Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8163703-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20100143300-A1 HEPATITIS C THERAPIES WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-06-10 US disclosed
US-7514410-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
EP-1863500-A2 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. (US) 2007-12-12 EP disclosed
EP-1814561-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES Biocryst Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-20060234963-A1 Hepatitis C therapies WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-10-19 US disclosed
WO-2006104945-A2 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-10-05 WO disclosed
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-07-27 US disclosed
WO-2006050161-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-05-11 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 (7 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-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines DPYD, TYMP, TYMS HTR1A 4285/4885BCHE 4567/4885ACHE 4773/4885
US-20130078218-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC HTR1A 4620/4885BCHE 1956/4885ACHE 4632/4885
US-20060234963-A1 Hepatitis C therapies HAVCR2, FABP1, LIPC HTR1A 4620/4885BCHE 1956/4885ACHE 4632/4885
US-20150141490-A1 PYRAZOLOTRIAZOLYL NUCLEOSIDE ANALOGUES AND OLIGONUCLEOTIDES COMPRISING THEM NT5C2, TK2, DUT HTR1A 3708/4885BCHE 4671/4885ACHE 4609/4885
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines DPYD, TYMP, TYMS HTR1A 4285/4885BCHE 4567/4885ACHE 4773/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS HTR1A 4285/4885BCHE 4567/4885ACHE 4773/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC HTR1A 4620/4885BCHE 1956/4885ACHE 4632/4885

“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.