SCHEMBL3679474

SCHEMBL3679474

Cc1nc(N2CCc3ccccc3C2)nc(C)c1N(C(=O)CC(C)(C)C)C(=O)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GRIN2D O15399 5/20 0.41
GRIN3B O60391 5/20 0.41
GRIN1 Q05586 5/20 0.41
GRIN2A Q12879 5/20 0.41
GRIN2B Q13224 5/20 0.41
GRIN2C Q14957 5/20 0.41
GRIN3A Q8TCU5 5/20 0.41
ADAMTS4 O75173 4/20 0.41
PTPN11 Q06124 1/20 0.39
PLA2G1B P04054 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL3677701 0.81 KCNQ2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3676553 0.75 PTPN11 (0.47) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3672056 0.75 ALDH1A1 (0.52) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3682386 0.72 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3676017 0.72 KCNQ2 (0.64)
SCHEMBL8572968 0.71 GRIN2D (0.46) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL32671633 0.69 PTPN11 (0.60) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3679813 0.69 KCNQ2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8569458 0.69 CETP (0.50) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13002326 0.67 NOTUM (0.61) ALDH1A1HPGDHTTSMN1; SMN2RAB9A

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 ALDH1A1 799/4885GRIN2D 601/4885GRIN3B 729/4885

“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.