SCHEMBL2810317

SCHEMBL2810317

CCN(c1ccccc1)c1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.60
CTSL P07711 4/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CTSK P43235 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CTSB P07858 3/20 0.38
CTSS P25774 3/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
POLB P06746 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL14865356 0.92 BDKRB1 (0.52) BDKRB1CTSLHDAC1HDAC6CTSK
SCHEMBL2806049 0.90 BDKRB1 (0.62) BDKRB1CTSLHDAC1HDAC6CTSK
SCHEMBL185457 0.87 BDKRB1 (0.49) BDKRB1CTSLHDAC1HDAC6CTSB
SCHEMBL2805903 0.82 BDKRB1 (0.63) BDKRB1CTSLCTSKMAPK11MAPK14
SCHEMBL2810040 0.81 BDKRB1 (0.58) BDKRB1CTSLCTSKMAPK11MAPK14
SCHEMBL764413 0.81 BDKRB1 (0.64) BDKRB1CTSLHDAC1HDAC6CTSK
SCHEMBL2805998 0.81 BDKRB1 (0.57) BDKRB1CTSLCTSKMAPK11MAPK14
SCHEMBL2548562 0.80 BDKRB1 (0.62) BDKRB1CTSLCTSKMAPK11MAPK14
SCHEMBL2806959 0.79 BDKRB1 (0.59) BDKRB1HDAC1HDAC6SMN1; SMN2POLB
SCHEMBL10121331 0.77 BDKRB1 (0.60) BDKRB1CTSLMAPK11MAPK14CNR1

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 289/4885CTSL 1731/4885HDAC1 1428/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CTSL 1731/4885HDAC1 1428/4885

“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.