SCHEMBL2581177

SCHEMBL2581177

CNC1CCC(OC(C)=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.55
SLC6A3 Q01959 2/20 0.55
SLC6A4 P31645 1/20 0.55
PDPK1 O15530 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2581172 1.00 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4PDPK1POLB
SCHEMBL9976868 0.87 POLB (0.55) SLC6A2SLC6A3SLC6A4POLB
SCHEMBL11592064 0.84 POLB (0.41) SLC6A2SLC6A3SLC6A4POLB
SCHEMBL1265231 0.78 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4POLB
SCHEMBL30291056 0.78 POLB (0.46) SLC6A2SLC6A3SLC6A4POLB
SCHEMBL26419670 0.75 POLB (0.44) SLC6A2SLC6A3SLC6A4POLB
SCHEMBL30290984 0.75 POLB (0.44) SLC6A2SLC6A3SLC6A4POLB
SCHEMBL13223487 0.74 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4PDPK1
SCHEMBL20433787 0.74 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4PDPK1
SCHEMBL817976 0.72 IDO1 (0.56) PDPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US 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 (1 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 4188/4885SLC6A3 4025/4885SLC6A4 4195/4885

“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.