SCHEMBL2400566

SCHEMBL2400566

C[N]C1c2ccccc2CCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
HTR2A P28223 2/20 0.35
RET P07949 1/20 0.35
PRCP P42785 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
IDO1 P14902 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL2401875 0.81 SIGMAR1 (0.38) PDPK1PRCP
SCHEMBL21625523 0.80 PDPK1 (0.37) PDPK1HTR2ARETPRCPHTR2C
SCHEMBL29447996 0.74 HTR2A (0.44) PDPK1HTR2ARETPRCPHTR2C
SCHEMBL28223707 0.74 PDPK1 (0.43) PDPK1HTR2ARETPRCPHTR2C
SCHEMBL8611199 0.74 HTR2A (0.44) PDPK1HTR2ARETPRCPHTR2C
SCHEMBL9493200 0.74 PDPK1 (0.43) PDPK1HTR2ARETPRCPIDO1
SCHEMBL2583993 0.71 PDPK1 (0.53) PDPK1HTR2ARETPRCPHTR2C
SCHEMBL2819925 0.66 POLB (0.46) PDPK1
SCHEMBL5085348 0.66 PDPK1 (0.50) PDPK1IDO1MAOAMAOB
SCHEMBL2400656 0.66 PDPK1 (0.50) PDPK1IDO1MAOAMAOB

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 2067/4885HTR2A 3556/4885RET 2176/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 PDPK1 1619/4885HTR2A 3531/4885RET 4069/4885

“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.