SCHEMBL3672056

SCHEMBL3672056

CCOC(=O)c1c(C)nc(N2CCc3ccccc3C2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3676553 0.83 PTPN11 (0.47) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3679474 0.75 ALDH1A1 (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3682386 0.74 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8572968 0.74 GRIN2D (0.46) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7650496 0.74 OPRK1 (0.53) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30109372 0.73 ALDH1A1 (0.55) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30109349 0.73 ALDH1A1 (0.52) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3677701 0.72 KCNQ2 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL32671633 0.72 PTPN11 (0.60) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8569458 0.71 CETP (0.50) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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.