SCHEMBL2806712

SCHEMBL2806712

Cc1ncncc1C(=O)N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.38
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
SCD O00767 3/20 0.34
CRACR2A Q9BSW2 1/20 0.34
CNR2 P34972 3/20 0.33
NR3C1 P04150 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CXCR2 P25025 1/20 0.33
STAT6 P42226 1/20 0.33
PDE2A O00408 1/20 0.33
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2807585 0.89 CNR2 (0.38) BDKRB1MAPK9MAPK10SCDCNR2
SCHEMBL186530 0.87 TRPV1 (0.34) BDKRB1MAPK9MAPK10TRPV1SCD
SCHEMBL2806710 0.87 BDKRB1 (0.46) BDKRB1TRPV1SCDCTDSP1MYC
SCHEMBL2809623 0.86 BDKRB1 (0.39) BDKRB1MAPK9MAPK10SCDCTDSP1
SCHEMBL2807539 0.84 MYC (0.39) BDKRB1SCDMYCMAX
SCHEMBL2807536 0.84 MYC (0.39) BDKRB1SCDMYCMAX
SCHEMBL2807542 0.84 NAMPT (0.39) BDKRB1MAPK9MAPK10SCDCTDSP1
SCHEMBL2809658 0.83 CYP1A2 (0.39) BDKRB1TRPV1NPSR1
SCHEMBL2804848 0.83 BDKRB1 (0.38) BDKRB1MAPK9MAPK10SCDCTDSP1
SCHEMBL2811096 0.83 NAMPT (0.41) BDKRB1TRPV1MYCMAXL3MBTL1

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 BDKRB1 289/4885MAPK9 2738/4885MAPK10 1714/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885MAPK9 2738/4885MAPK10 1714/4885

“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.