SCHEMBL1000072

SCHEMBL1000072

CCOC(=O)Nc1c(C)cc(N2CCc3cc(C(F)(F)F)ccc3C2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 14/20 0.56
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
KCNQ3 O43525 1/20 0.41
ACACB O00763 1/20 0.41
DPP7 Q9UHL4 2/20 0.40
PHGDH O43175 1/20 0.40

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
SCHEMBL30824638 1.00 KCNQ2 (0.56) KCNQ2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1000318 0.84 KCNQ2 (0.78) KCNQ2KCNQ3
SCHEMBL30794725 0.84 KCNQ2 (0.78) KCNQ2KCNQ3
SCHEMBL30741269 0.83 KCNQ2 (0.44) KCNQ2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19698754 0.83 KCNQ2 (0.44) KCNQ2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1001116 0.81 KCNQ2 (0.65) KCNQ2KCNQ3
SCHEMBL1001114 0.81 KCNQ2 (0.65) KCNQ2KCNQ3
SCHEMBL28783965 0.80 KCNQ2 (0.52) KCNQ2KCNQ3ACACBPHGDH
SCHEMBL1000113 0.80 KCNQ2 (0.72) KCNQ2KCNQ3
SCHEMBL1001115 0.80 KCNQ2 (0.61) KCNQ2KCNQ3PHGDH

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293911-B2 Seizure disorders; antiepileptic agents; N-(2-chloro-4-(3,4-dihydroisoquinolin-2(1H)-yl)-6-(trifluoromethyl)phenyl)-3,3-dimethylbutanamide for example VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2012-10-23 US claimed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
US-20240226054-A9 AGENTS AND METHODS FOR PREVENTING AND TREATING SKELETAL MUSCLE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-11 US disclosed
US-20240131000-A1 AGENTS AND METHODS FOR PREVENTING AND TREATING SKELETAL MUSCLE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-04-25 US disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-8993593-B2 N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2015-03-31 US disclosed
US-8993593-B2 N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2015-03-31 US disclosed
US-8993593-B2 N-(4-(6-fluoro-3,4-dihydroisoquinolin-2(1H)-yl)-2,6-dimethylphenyl)-3,3-dimethylbutanamide as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2015-03-31 US disclosed
EP-2061465-B1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INT (US) 2013-04-10 EP disclosed
US-8293911-B2 Seizure disorders; antiepileptic agents; N-(2-chloro-4-(3,4-dihydroisoquinolin-2(1H)-yl)-6-(trifluoromethyl)phenyl)-3,3-dimethylbutanamide for example VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2012-10-23 US disclosed
US-8293911-B2 Seizure disorders; antiepileptic agents; N-(2-chloro-4-(3,4-dihydroisoquinolin-2(1H)-yl)-6-(trifluoromethyl)phenyl)-3,3-dimethylbutanamide for example VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2012-10-23 US disclosed
US-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2011-01-06 US disclosed
US-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2011-01-06 US disclosed
US-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2011-01-06 US disclosed
CN-101563085-A Derivatives of 4-(N-azacycloalkyl) anilides as potassium channel modulators VERNIER JEAN MICHEL (US) 2009-10-21 CN disclosed
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-06-12 US disclosed
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-06-12 US disclosed
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-06-12 US disclosed
WO-2008024398-A2 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2008-02-28 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-20110003850-A1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS KCNQ2, KCNQ1, KCNQ5 KCNQ2 1/4885GRIN2D 123/4885GRIN3B 274/4885
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators KCNQ2, KCNQ1, KCNQ5 KCNQ2 1/4885GRIN2D 148/4885GRIN3B 292/4885

“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.