SCHEMBL2807585

SCHEMBL2807585

Cc1ncc(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.38
STAT6 P42226 1/20 0.36
BDKRB1 P46663 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
NR3C1 P04150 2/20 0.35
AURKA O14965 1/20 0.35
SCD O00767 1/20 0.34
PTK2 Q05397 1/20 0.34
P2RX7 Q99572 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL2806712 0.89 BDKRB1 (0.38) CNR2STAT6BDKRB1MAPK9MAPK10
SCHEMBL2809623 0.89 BDKRB1 (0.39) BDKRB1MAPK9MAPK10AURKASCD
SCHEMBL185038 0.87 AURKA (0.33) CNR2STAT6BDKRB1MAPK9MAPK10
SCHEMBL2807536 0.84 MYC (0.39) BDKRB1AURKASCDPTK2
SCHEMBL2807539 0.84 MYC (0.39) BDKRB1AURKASCDPTK2
SCHEMBL185703 0.84 FAAH (0.37) CNR2BDKRB1MAPK9MAPK10AURKA
SCHEMBL2804848 0.83 BDKRB1 (0.38) BDKRB1MAPK9MAPK10AURKASCD
SCHEMBL2812065 0.83 HDAC3 (0.38) BDKRB1MAPK9MAPK10AURKASCD
SCHEMBL2806528 0.83 HPGD (0.41) CNR2BDKRB1P2RX7
SCHEMBL2807542 0.82 NAMPT (0.39) BDKRB1MAPK9MAPK10AURKASCD

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 6 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
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 882/4885STAT6 2279/4885BDKRB1 289/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885STAT6 2279/4885BDKRB1 289/4885

“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.