SCHEMBL2808484

SCHEMBL2808484

CC(NC(=O)C1(N)CCOC1)c1ccc(Nc2ccc(Br)cc2C(F)(F)F)cn1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 2/20 0.33
OPRM1 P35372 1/20 0.33
PDE2A O00408 2/20 0.32
CNR2 P34972 2/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
AKT1 P31749 2/20 0.31
BACE1 P56817 1/20 0.31
CACNA1G O43497 2/20 0.31
CACNA1H O95180 2/20 0.31
CACNA1I Q9P0X4 2/20 0.31
KCNH2 Q12809 1/20 0.31
P2RX3 P56373 4/20 0.31
P2RX2 Q9UBL9 4/20 0.31
CYP2C9 P11712 2/20 0.31
LRRK2 Q5S007 1/20 0.30
BCDIN3D Q7Z5W3 1/20 0.30

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
SCHEMBL2808732 0.90 CNR2 (0.37) B3GNT2CNR2MAPK10AKT1BACE1
SCHEMBL13129059 0.82 BDKRB1 (0.38) B3GNT2
SCHEMBL2810341 0.82 BDKRB1 (0.38) B3GNT2
SCHEMBL2810098 0.82 BDKRB1 (0.38) B3GNT2
SCHEMBL2810338 0.82 BDKRB1 (0.38) B3GNT2
SCHEMBL13129055 0.82 BDKRB1 (0.38) B3GNT2
SCHEMBL186430 0.81 BDKRB1 (0.33)
SCHEMBL186533 0.81 BDKRB1 (0.33)
SCHEMBL2781474 0.79 B3GNT2 (0.33) B3GNT2OPRM1PDE2ABACE1CACNA1G
SCHEMBL2808439 0.78 BDKRB1 (0.45)

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 2 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-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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 B3GNT2 2551/4885OPRM1 160/4885PDE2A 1029/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 B3GNT2 2551/4885OPRM1 160/4885PDE2A 1029/4885

“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.