SCHEMBL2404150

SCHEMBL2404150

C[N]C1c2ccccc2CC1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
PRCP P42785 1/20 0.37
KDM1A O60341 4/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36

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
SCHEMBL2402069 0.81 PDPK1 (0.46)
SCHEMBL4670580 0.79 OPRM1 (0.37) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL410055 0.74 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31124279 0.74 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24821526 0.71 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12713048 0.71 KDM1A (0.47) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9062798 0.71 KDM1A (0.47) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13873035 0.71 OPRM1 (0.44) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22052004 0.71 OPRM1 (0.42) OPRM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL599176 0.71 KDM1A (0.47) OPRM1GRIN2DGRIN3BGRIN1GRIN2A

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 11 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
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 (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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 OPRM1 3294/4885GRIN2D 175/4885GRIN3B 1107/4885
US-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS NOX1, XDH, CBR1 OPRM1 1600/4885GRIN2D 648/4885GRIN3B 1350/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 OPRM1 2937/4885GRIN2D 1273/4885GRIN3B 1608/4885

“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.