SCHEMBL3676832

SCHEMBL3676832

COc1nc(N2CCc3ccccc3C2)nc(OC)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 0.50
GRIN3B O60391 9/20 0.50
GRIN1 Q05586 9/20 0.50
GRIN2A Q12879 9/20 0.50
GRIN2B Q13224 9/20 0.50
GRIN2C Q14957 9/20 0.50
GRIN3A Q8TCU5 9/20 0.50
CHRM1 P11229 4/20 0.49
ADRA1D P25100 4/20 0.49
ADRA1A P35348 4/20 0.49
ADRA1B P35368 4/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
NUDT1 P36639 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL3684275 0.81 S1PR1 (0.51) ADRA1DADRA1AADRA1BHRH4
SCHEMBL3682386 0.81 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3674430 0.80 MEN1 (0.50) ALDH1A1MAPTL3MBTL1MEN1HTT
SCHEMBL12075754 0.74 MEN1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12463920 0.73 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3676017 0.73 KCNQ2 (0.64)
SCHEMBL16453881 0.72 KDM4E (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1123909 0.72 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1736536 0.72 HRH4 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3714145 0.72 CETP (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-8367684-B2 Derivatives of 4-(N-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2013-02-05 US disclosed
US-8367684-B2 Derivatives of 4-(N-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2013-02-05 US disclosed
US-8367684-B2 Derivatives of 4-(N-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2013-02-05 US disclosed
EP-2170861-B1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INT (US) 2012-08-29 EP disclosed
EP-2170861-B1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INT (US) 2012-08-29 EP disclosed
EP-2170861-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS Valeant Pharmaceuticals International (US) 2010-04-07 EP disclosed
US-20080318979-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-12-25 US disclosed
US-20080318979-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-12-25 US disclosed
US-20080318979-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-12-25 US disclosed
WO-2008157404-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-12-24 WO disclosed
WO-2008157404-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-12-24 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-20080318979-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS KCNH2, KCNA6, KCNA1 GRIN2D 601/4885GRIN3B 729/4885GRIN1 556/4885

“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.