SCHEMBL2402069

SCHEMBL2402069

C[N]C1c2ccccc2CCC1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
IDO1 P14902 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
DRD2 P14416 1/20 0.41
CYP11B2 P19099 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
BCHE P06276 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL2404150 0.81 OPRM1 (0.40)
SCHEMBL1261931 0.76 DRD2 (0.53) PDPK1IDO1TAS1R3TAS1R1TAS1R2
SCHEMBL18408553 0.76 DRD2 (0.53) PDPK1IDO1TAS1R3TAS1R1TAS1R2
SCHEMBL5085348 0.75 PDPK1 (0.50) PDPK1IDO1CYP11B2SIGMAR1MAOA
SCHEMBL2400656 0.75 PDPK1 (0.50) PDPK1IDO1CYP11B2SIGMAR1MAOA
SCHEMBL13866428 0.73 PDPK1 (0.48) PDPK1IDO1TAS1R3TAS1R1TAS1R2
SCHEMBL1748152 0.73 IDO1 (0.48) PDPK1IDO1TAS1R3TAS1R1TAS1R2
SCHEMBL30368195 0.73 IDO1 (0.48) PDPK1IDO1TAS1R3TAS1R1TAS1R2
Methyl Alcohol SCHEMBL14815562 0.73 DRD2 (0.50) PDPK1IDO1TAS1R3TAS1R1TAS1R2
SCHEMBL16363091 0.73 PDPK1 (0.48) PDPK1IDO1TAS1R3TAS1R1TAS1R2

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 9 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
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-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
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 (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-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS NOX1, XDH, CBR1 PDPK1 2067/4885IDO1 226/4885TAS1R3 1238/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 PDPK1 1619/4885IDO1 183/4885TAS1R3 963/4885

“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.