SCHEMBL2808620

SCHEMBL2808620

O=C(CC(F)(F)F)N[C@@]1(C(=O)NCc2ncc(Nc3ccc(F)cc3C(F)(F)F)cc2Cl)CCOC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.37
CNR2 P34972 7/20 0.34
BDKRB1 P46663 1/20 0.33
P2RX7 Q99572 3/20 0.32
GCGR P47871 1/20 0.32
ALOX15 P16050 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL2809983 0.87 OPRL1 (0.36) OPRL1CNR2BDKRB1
SCHEMBL2810139 0.87 BDKRB1 (0.36) OPRL1CNR2BDKRB1P2RX7BACE1
SCHEMBL14857224 0.86 CNR2 (0.33) OPRL1CNR2GCGRALOX15
SCHEMBL2806938 0.85 HDAC3 (0.37) OPRL1CNR2
SCHEMBL186543 0.85 OPRL1 (0.34) OPRL1CNR2BDKRB1P2RX7BACE1
SCHEMBL185952 0.85 BDKRB1 (0.36) OPRL1CNR2BDKRB1ALOX15BACE1
SCHEMBL2805848 0.85 BDKRB1 (0.39) OPRL1CNR2BDKRB1
SCHEMBL2807036 0.85 BDKRB1 (0.36) OPRL1CNR2BDKRB1ALOX15BACE1
SCHEMBL15460097 0.84 ALOX15 (0.36) OPRL1CNR2P2RX7ALOX15
SCHEMBL2808195 0.84 OPRL1 (0.35) OPRL1CNR2BDKRB1BACE1

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 7 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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 OPRL1 334/4885CNR2 882/4885BDKRB1 289/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 OPRL1 334/4885CNR2 882/4885BDKRB1 289/4885

“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.