SCHEMBL2809511

SCHEMBL2809511

Cn1ccc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Br)cc4C(F)(F)F)cn3)CC2)cc1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CTSS P25774 3/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
BDKRB1 P46663 1/20 0.34
P2RX3 P56373 1/20 0.32
PTK2 Q05397 11/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
CTSK P43235 1/20 0.32
NTRK1 P04629 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
SCHEMBL13128554 0.91 P2RX3 (0.38) CNR2HDAC1HDAC8HDAC6CTSL
SCHEMBL14856688 0.88 FAAH (0.34) CNR2HDAC1HDAC8HDAC6PTK2
SCHEMBL2805326 0.87 CNR2 (0.37) CNR2HDAC1HDAC6CTSSCTSL
SCHEMBL2809358 0.86 BDKRB1 (0.40) CNR2HDAC1HDAC6CTSSCTSL
SCHEMBL185963 0.85 FPR2 (0.39) CNR2HDAC1HDAC8HDAC6CTSS
SCHEMBL2813480 0.85 CNR2 (0.36) CNR2CTSSCTSLCTSBBDKRB1
SCHEMBL2806916 0.85 CNR2 (0.37) CNR2CTSSCTSLCTSBBDKRB1
SCHEMBL2810893 0.85 BRAF (0.36) CNR2HDAC1HDAC6CTSSCTSL
SCHEMBL2805112 0.85 BDKRB1 (0.37) CNR2HDAC1HDAC6CTSSCTSL
SCHEMBL185691 0.85 CNR2 (0.38) CNR2CTSSCTSLCTSBBDKRB1

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 CNR2 882/4885HDAC1 1428/4885HDAC8 3386/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885HDAC1 1428/4885HDAC8 3386/4885

“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.