SCHEMBL2806180

SCHEMBL2806180

N#Cc1c(F)cccc1Nc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.49
CNR1 P21554 1/20 0.38
NAMPT P43490 1/20 0.37
CTSL P07711 4/20 0.36
CXCR4 P61073 1/20 0.36
CTSK P43235 3/20 0.36
CTSS P25774 3/20 0.35
LRRK2 Q5S007 1/20 0.35
UCHL1 P09936 1/20 0.35
CTSB P07858 2/20 0.35
PRKAA2 P54646 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
SCHEMBL14857250 0.89 BDKRB1 (0.40) BDKRB1NAMPTCTSLCTSSLRRK2
SCHEMBL2805761 0.86 BDKRB1 (0.49) BDKRB1CNR1CTSLCXCR4CTSK
SCHEMBL2836906 0.85 BDKRB1 (0.54) BDKRB1CNR1CTSLCTSKCTSS
SCHEMBL13128434 0.82 BDKRB1 (0.47) BDKRB1CNR1NAMPTCTSLCXCR4
SCHEMBL2808193 0.82 BDKRB1 (0.47) BDKRB1CNR1NAMPTCTSLCXCR4
SCHEMBL2805104 0.81 BDKRB1 (0.56) BDKRB1CNR1NAMPTCXCR4
SCHEMBL2807548 0.81 BDKRB1 (0.53) BDKRB1CNR1NAMPT
SCHEMBL2811075 0.81 BDKRB1 (0.57) BDKRB1CNR1NAMPT
SCHEMBL2805694 0.80 BDKRB1 (0.54) BDKRB1CNR1NAMPT
SCHEMBL2805903 0.80 BDKRB1 (0.63) BDKRB1CNR1NAMPTCTSLCTSK

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 289/4885CNR1 211/4885NAMPT 3026/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR1 211/4885NAMPT 3026/4885

“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.