SCHEMBL2809680

SCHEMBL2809680

NC1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.44
P2RX7 Q99572 13/20 0.41
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
AURKA O14965 1/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL185618 0.91 AKT2 (0.39) AKT2P2RX7CNR1CNR2AURKA
SCHEMBL2810807 0.89 PTGS2 (0.41) AKT2P2RX7EPHX2
SCHEMBL185133 0.87 CNR2 (0.41) AKT2P2RX7CNR1CNR2AURKA
SCHEMBL2809028 0.84 P2RX7 (0.38) AKT2P2RX7CNR1CNR2AURKA
SCHEMBL2807472 0.84 P2RX7 (0.39) AKT2P2RX7CNR1CNR2AURKA
Hydrochloric Acid SCHEMBL2805860 0.83 P2RX7 (0.38) AKT2P2RX7CNR1CNR2AURKA
Hydrochloric Acid SCHEMBL2805225 0.83 P2RX7 (0.39) AKT2P2RX7CNR1CNR2AURKA
SCHEMBL185674 0.82 P2RX7 (0.42) P2RX7CNR1CNR2EPHX2PPARG
SCHEMBL2809267 0.80 GAA (0.37) AKT2P2RX7CNR1EPHX2
SCHEMBL2808437 0.80 GAA (0.37) AKT2P2RX7CNR1EPHX2

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 AKT2 3922/4885P2RX7 30/4885CNR1 211/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AKT2 3922/4885P2RX7 30/4885CNR1 211/4885

“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.