SCHEMBL2808925

SCHEMBL2808925

O=C(NC1(C(=O)O)CCOC1)c1cn[nH]c(=O)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
PTGS1 P23219 1/20 0.32
NAMPT P43490 1/20 0.31
GPR132 Q9UNW8 1/20 0.30

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
SCHEMBL2808923 1.00 CYP4F2 (0.40) CYP4F2CYP4A11PTGS1NAMPTGPR132
SCHEMBL9105503 0.86 PTGS1 (0.36) CYP4F2CYP4A11PTGS1GPR132
SCHEMBL12473747 0.82 ABL1 (0.34) NAMPT
SCHEMBL10065476 0.80 CYP4F2 (0.36) CYP4F2CYP4A11
SCHEMBL14856727 0.80 CYP4F2 (0.33) CYP4F2CYP4A11PTGS1
SCHEMBL185854 0.78 KDM4E (0.45) CYP4F2CYP4A11GPR132
SCHEMBL2809256 0.78 KDM4E (0.48) CYP4F2CYP4A11GPR132
SCHEMBL2805627 0.78 KDM4E (0.45) CYP4F2CYP4A11GPR132
SCHEMBL2809274 0.78 KDM4E (0.48) CYP4F2CYP4A11GPR132
SCHEMBL186662 0.77 VNN1 (0.40) CYP4F2CYP4A11GPR132

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-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
US-8901127-B2 Pyridazin derivatives as antagonists of the bradykinin B1 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-02 US disclosed
US-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-8372838-B2 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
US-20120208823-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
US-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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 (5 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-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, EDNRB CYP4F2 2566/4885CYP4A11 828/4885PTGS1 182/4885
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CYP4F2 874/4885CYP4A11 223/4885PTGS1 988/4885
US-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BDKRB1, BDKRB2, HRH2 CYP4F2 419/4885CYP4A11 643/4885PTGS1 128/4885
US-20120208823-A1 New Compounds ABCG2, SDHA, UGT2B7 CYP4F2 9/4885CYP4A11 222/4885PTGS1 2196/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CYP4F2 874/4885CYP4A11 223/4885PTGS1 988/4885

“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.