SCHEMBL2805300

SCHEMBL2805300

N#Cc1ccccc1Nc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.44
AR P10275 3/20 0.41
CNR1 P21554 2/20 0.37
CTSL P07711 3/20 0.37
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
P2RX7 Q99572 1/20 0.35
AURKA O14965 1/20 0.35
CTSB P07858 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
SCHEMBL185311 0.90 BDKRB1 (0.37) BDKRB1ARCNR1P2RX7AURKA
SCHEMBL2809766 0.88 BDKRB1 (0.43) BDKRB1ARCNR1CTSLCTSK
SCHEMBL2836906 0.87 BDKRB1 (0.54) BDKRB1CNR1CTSLCTSKCTSS
SCHEMBL2808193 0.80 BDKRB1 (0.47) BDKRB1ARCNR1CTSLCTSK
SCHEMBL13128434 0.80 BDKRB1 (0.47) BDKRB1ARCNR1CTSLCTSK
SCHEMBL2806859 0.79 BDKRB1 (0.40) BDKRB1ARCNR1CTSLCTSK
SCHEMBL2806180 0.79 BDKRB1 (0.49) BDKRB1CNR1CTSLCTSKCTSS
SCHEMBL2805761 0.79 BDKRB1 (0.49) BDKRB1CNR1CTSLCTSKCTSS
SCHEMBL13128520 0.78 BDKRB1 (0.43) BDKRB1ARCNR1
SCHEMBL185655 0.78 BDKRB1 (0.35) BDKRB1CTSLCTSSCTSB

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 BDKRB1 289/4885AR 1452/4885CNR1 211/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885AR 1452/4885CNR1 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.