SCHEMBL5111399

SCHEMBL5111399

Cc1ccc2c(n1)C(O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
UGT2B17 O75795 2/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
NR3C1 P04150 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRD3 Q15059 1/20 0.32
CXCR4 P61073 2/20 0.32
GRM5 P41594 3/20 0.31
CCR1 P32246 1/20 0.30
RAB9A P51151 1/20 0.30
CCR5 P51681 1/20 0.30
PGR P06401 1/20 0.30
DRD2 P14416 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
SCHEMBL10287319 1.00 ACHE (0.38) ACHEUGT2B17ALDH1A1KDM4ELMNA
SCHEMBL14884981 1.00 ACHE (0.38) ACHEUGT2B17ALDH1A1KDM4ELMNA
SCHEMBL10286285 0.95 ACHE (0.34) ACHEUGT2B17ALDH1A1KDM4ELMNA
SCHEMBL25888957 0.89 DRD2 (0.34) ACHEKCNH2CCR1RAB9ACCR5
SCHEMBL15833701 0.83 ACHE (0.36) ACHEUGT2B17ALDH1A1CYP1A2CYP2C9
SCHEMBL10286327 0.80 ACHE (0.39) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL11520415 0.79 CXCR4 (0.32) ALDH1A1KDM4ELMNAUSP2RXFP1
SCHEMBL3864358 0.79 IRAK4 (0.44) ACHEALDH1A1KDM4ELMNAUSP2
SCHEMBL868218 0.79 ACHE (0.41) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL5110817 0.79 CXCR4 (0.32) ALDH1A1KDM4ELMNAUSP2RXFP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO disclosed
US-7407969-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-05 US disclosed
EP-1400519-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2007-03-07 EP disclosed
US-7071192-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-07-04 US disclosed
US-20060058309-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-16 US disclosed
EP-1400519-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-24 EP disclosed
EP-1196410-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 EP disclosed
CN-1358182-A Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA NV (BE) 2002-07-10 CN disclosed
EP-1196410-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-17 EP disclosed
WO-2001000615-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 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 (3 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-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GRM5, GRM1, GRM3 ACHE 1485/4885UGT2B17 586/4885ALDH1A1 4184/4885
US-20060058309-A1 Respiratory syncytial virus replication inhibitors NR4A1, NR4A3, NR4A2 ACHE 4708/4885UGT2B17 1312/4885ALDH1A1 2521/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO ACHE 660/4885UGT2B17 1446/4885ALDH1A1 1110/4885

“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.