SCHEMBL2809260

SCHEMBL2809260

NC(=O)C1OCC[C]1C(=O)NCc1ccc(Nc2ccccc2C(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.40
HTT P42858 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
EPHX2 P34913 4/20 0.36
ROCK2 O75116 1/20 0.35
NPC1 O15118 2/20 0.35
KIF11 P52732 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
EPHX1 P07099 1/20 0.34
HPGD P15428 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2779378 0.86 LMNA (0.40) PTGESHTTEPHX2NPC1TP53
SCHEMBL2809264 0.79 EPHX2 (0.38) PTGESHTTSIRT2EPHX2MAPT
SCHEMBL2782126 0.78 CNR2 (0.36)
SCHEMBL2805095 0.77 CNR2 (0.36)
SCHEMBL185312 0.77 TAS2R14 (0.42) SIRT2EPHX2TP53TAS2R14
SCHEMBL12473674 0.76 CNR2 (0.38) TP53MAPTRAB9A
SCHEMBL13159675 0.75 EPHX2 (0.44) EPHX2NPC1
SCHEMBL19418574 0.75 EPHX2 (0.44) EPHX2NPC1
SCHEMBL2810807 0.75 PTGS2 (0.41) SIRT2EPHX2NPC1HPGDTAS2R14
SCHEMBL2809267 0.74 GAA (0.37) PTGESSIRT2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539323-B3 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2017-10-04 EP disclosed
EP-2539323-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2014-12-03 EP 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-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 PTGES 763/4885HTT 2934/4885SIRT2 3302/4885
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 PTGES 2696/4885HTT 3537/4885SIRT2 4042/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 PTGES 2696/4885HTT 3537/4885SIRT2 4042/4885

“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.