SCHEMBL2809264

SCHEMBL2809264

NC(=O)C1OCCC1C(=O)NCc1ccc(Nc2ccccc2C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.38
CYP2C9 P11712 4/20 0.38
P2RX7 Q99572 6/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PTGES O14684 1/20 0.35
SCN9A Q15858 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2805677 0.86 SCN9A (0.44) EPHX2CYP2C9P2RX7HTTLMNA
SCHEMBL19418574 0.80 EPHX2 (0.44) EPHX2CYP2C9
SCHEMBL13159675 0.80 EPHX2 (0.44) EPHX2CYP2C9
SCHEMBL2809260 0.79 PTGES (0.40) EPHX2HTTSIRT2MAPTPTGES
SCHEMBL185312 0.78 TAS2R14 (0.42) EPHX2CYP2C9SIRT2POLB
Hydrochloric Acid SCHEMBL2805207 0.76 CNR2 (0.35) EPHX2P2RX7
SCHEMBL2805098 0.76 CNR2 (0.36) EPHX2P2RX7
SCHEMBL15455028 0.75 CNR2 (0.37) CYP2C9P2RX7MAPTPOLB
SCHEMBL2810807 0.75 PTGS2 (0.41) EPHX2P2RX7SIRT2
SCHEMBL2809267 0.74 GAA (0.37) EPHX2P2RX7ATMSIRT2PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 EPHX2 1395/4885CYP2C9 1163/4885P2RX7 164/4885
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 EPHX2 1733/4885CYP2C9 68/4885P2RX7 30/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 EPHX2 1733/4885CYP2C9 68/4885P2RX7 30/4885

“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.