SCHEMBL2404815

SCHEMBL2404815

CNC1CC(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDPK1 O15530 1/20 0.43
P2RX7 Q99572 1/20 0.43
S100A4 P26447 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
HSD11B1 P28845 1/20 0.38
AKR1C3 P42330 1/20 0.38
BRD4 O60885 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL2399842 0.81 PDPK1 (0.58) PDPK1
SCHEMBL18988275 0.81 S100A4 (0.44) HTR2CHTR2BP2RX7S100A4ADORA3
SCHEMBL29908700 0.81 S100A4 (0.44) HTR2CHTR2BP2RX7S100A4ADORA3
SCHEMBL20252628 0.79 P2RX7 (0.51) P2RX7ADORA3ARHSD11B1AKR1C3
SCHEMBL8695216 0.79 P2RX7 (0.51) P2RX7ADORA3ARHSD11B1AKR1C3
SCHEMBL2345537 0.78 P2RX7 (0.39) HTR2CP2RX7S100A4ADORA3AR
SCHEMBL1987089 0.76 MAOB (0.51) ADRA2BADRA2CADRA1AP2RX7
SCHEMBL1986900 0.76 MAOB (0.51) ADRA2BADRA2CADRA1AP2RX7
SCHEMBL6858417 0.76 MAOB (0.51) ADRA2BADRA2CADRA1AP2RX7
SCHEMBL6863573 0.75 BCHE (0.53) P2RX7S100A4ADORA3ARHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
EP-2358709-B1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DU PONT (US) 2014-01-22 EP disclosed
US-8618137-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-12-31 US disclosed
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
US-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2011-09-15 US disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
US-7338974-B2 Macrocyclic diaminopropanes as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-04 US disclosed
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome BRISTOL-MYERS SQUIBB COMPANY 2007-02-15 US disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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 (4 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 SLC6A2 4188/4885ADRA2A 2170/4885ADRA2B 3015/4885
US-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS NOX1, XDH, CBR1 SLC6A2 3169/4885ADRA2A 2081/4885ADRA2B 2469/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 SLC6A2 3157/4885ADRA2A 2974/4885ADRA2B 3102/4885
US-20070037868-A1 5-Benzyl-4-hydroxy-18-methoxy-8-(2-oxo-pyrrolidin-1-yl)-13-oxa-2,6-diaza-tricyclo[12.6.1.015,20]henicosa-10,15(20),16,18-tetraen-7-one; Alzheimer's Disease; Down's Syndrome APP, BACE1, PSEN1 SLC6A2 1558/4885ADRA2A 201/4885ADRA2B 414/4885

“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.