SCHEMBL1001852

SCHEMBL1001852

CC(C)(C)CC(=O)Nc1ccc(Br)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 5/20 0.51
LMNA P02545 3/20 0.51
APOBEC3A P31941 2/20 0.51
APOBEC3G Q9HC16 2/20 0.51
MAPT P10636 2/20 0.51
RGS12 O14924 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
CTDSP1 Q9GZU7 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
SCHEMBL3992653 0.83 ALDH1A1 (0.57) ADORA2AADORA1L3MBTL1HTTLMNA
SCHEMBL23518545 0.82 L3MBTL1 (0.57) ADORA2AADORA1L3MBTL1HTTLMNA
SCHEMBL4261842 0.81 MAPK1 (0.56) MAPK1L3MBTL1HTTLMNAAPOBEC3A
SCHEMBL4940608 0.80 ALDH1A1 (0.51) ADORA2AADORA1L3MBTL1HTTLMNA
SCHEMBL5736625 0.80 SMN1; SMN2 (0.50) L3MBTL1HTTLMNAMAPTPOLB
SCHEMBL6005485 0.80 ALDH1A1 (0.56) MAPK1L3MBTL1HTTLMNAAPOBEC3A
SCHEMBL8365770 0.80 MAPK1 (0.59) MAPK1L3MBTL1HTTLMNAMAPT
SCHEMBL7937677 0.80 MAPK1 (0.55) MAPK1L3MBTL1HTTLMNAAPOBEC3A
SCHEMBL14300559 0.79 ADORA2A (0.50) ADORA2AADORA1L3MBTL1HTTLMNA
SCHEMBL1000941 0.79 SMN1; SMN2 (0.50) ADORA2AADORA1L3MBTL1HTTMAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MAPK1 754/4885ADORA2A 1006/4885ADORA1 287/4885
US-20080139610-A1 Derivatives of 4-(n-azacycloalkyl) anilides as potassium channel modulators KCNQ2, KCNQ1, KCNQ5 MAPK1 739/4885ADORA2A 1222/4885ADORA1 341/4885

“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.