SCHEMBL2808727

SCHEMBL2808727

CC(NC(=O)C1CCOC1C(N)=O)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.34
P2RX3 P56373 3/20 0.33
P2RX2 Q9UBL9 3/20 0.33
GAA P10253 1/20 0.33
CNR1 P21554 2/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MAPK10 P53779 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
PROKR1 Q8TCW9 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
SCHEMBL2808483 0.91 CACNA1G (0.31) CACNA1GCACNA1HCACNA1IFLT3
SCHEMBL2780155 0.82 CNR2 (0.35) CNR2P2RX3P2RX2GAAMAPK10
SCHEMBL13160642 0.82 MAPK10 (0.40) CNR2P2RX3P2RX2CNR1MAPK10
SCHEMBL15455028 0.78 CNR2 (0.37) CNR2GAACNR1RAB9ACYP1A2
SCHEMBL2808732 0.76 CNR2 (0.37) CNR2CNR1IDO1TDO2MAPK10
Trifluoroacetic Acid SCHEMBL2806915 0.75 MEN1 (0.35) CNR2GAAIDO1TDO2MAPK10
Trifluoroacetic Acid SCHEMBL2806920 0.74 CNR2 (0.36) CNR2RAB9ANPC1ALDH1A1HTT
SCHEMBL27870326 0.74 RAB9A (0.43) CNR2GAAMAPK10RAB9ANPC1
SCHEMBL2805098 0.74 CNR2 (0.36) CNR2FLT3
SCHEMBL2781474 0.74 B3GNT2 (0.33) P2RX3P2RX2CACNA1GCACNA1HCACNA1I

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 CNR2 882/4885P2RX3 23/4885P2RX2 41/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885P2RX3 23/4885P2RX2 41/4885

“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.