SCHEMBL633048

SCHEMBL633048

c1ccc(CN2CCc3[nH]c4ccccc4c3C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 1.00
HDAC1 Q13547 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
AKR1B1 P15121 1/20 0.67
MEN1 O00255 1/20 0.64
GAA P10253 1/20 0.64
KMT2A Q03164 1/20 0.64
ATM Q13315 1/20 0.64
SIGMAR1 Q99720 3/20 0.62

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
SCHEMBL11183259 0.85 ACHE (0.76) ACHEAKR1B1MEN1GAAKMT2A
SCHEMBL2593829 0.84 ACHE (1.00) ACHEHDAC1HDAC6AKR1B1
SCHEMBL11186197 0.84 ACHE (0.74) ACHEHDAC1HDAC6AKR1B1MEN1
SCHEMBL8359258 0.83 ACHE (0.71) ACHEHDAC1HDAC6AKR1B1
SCHEMBL7137972 0.82 ACHE (0.70) ACHEHDAC1HDAC6AKR1B1MEN1
SCHEMBL631839 0.82 ACHE (0.70) ACHESIGMAR1
SCHEMBL30945657 0.82 ACHE (0.70) ACHESIGMAR1
SCHEMBL4892784 0.81 ACHE (0.80) ACHEHDAC1HDAC6AKR1B1MEN1
SCHEMBL60976 0.81 AKR1B1 (0.74) ACHEHDAC1HDAC6AKR1B1
SCHEMBL11208411 0.81 ACHE (1.00) ACHEHDAC1HDAC6AKR1B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420235-A1 Methods and combination therapies for treating alzheimer's disease Medivation Neurology, Inc. (US) 2012-02-22 EP claimed
US-20100152108-A1 METHODS AND COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE MEDIVATION NEUROLOGY, INC. (US) 2010-06-17 US claimed
US-20100152225-A1 HYDROGENATED PYRIDO [4,3-B] INDOLES SUCH AS DIMEBON FOR TREATING CANINE COGNITIVE DYSFUNCTION SYNDROME MEDIVATION NEUROLOGY, INC. 2010-06-17 US claimed
US-20100099700-A1 HYDROGENATED PYRIDO (4,3-B) INDOLES FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS (ALS) MEDIVATION NEUROLOGY, INC. 2010-04-22 US claimed
EP-2086538-A2 COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE USING I.A. DIMEBON AND DOLEPEZIL Medivation Neurology, Inc. (US) 2009-08-12 EP claimed
EP-2066322-A2 HYDROGENATED PYRIDO [4,3-B] INDOLES SUCH AS DIMEBON FOR TREATING CANINE COGNITIVE DYSFUNCTION SYNDROME Medivation Neurology, Inc. (US) 2009-06-10 EP claimed
EP-2063892-A2 METHODS AND COMPOSITIONS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS (ALS) Medivation Neurology, Inc. (US) 2009-06-03 EP claimed
WO-2009039420-A9 METHODS AND COMPOSITIONS FOR TREATING NEURONAL DEATH MEDIATED OCULAR DISEASES MEDIVATION NEUROLOGY INC (US) 2009-05-07 WO claimed
WO-2009039420-A1 METHODS AND COMPOSITIONS FOR TREATING NEURONAL DEATH MEDIATED OCULAR DISEASES MEDIVATION NEUROLOGY, INC. (US) 2009-03-26 WO claimed
EP-1976518-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA Medivation Neurology, Inc. (US) 2008-10-08 EP claimed
WO-2008036400-A2 HYDROGENATED PYRIDO [4,3-B] INDOLES SUCH AS DIMEBON FOR TREATING CANINE COGNITIVE DYSFUNCTION SYNDROME MEDIVATION NEUROLOGY, INC. (US) 2008-03-27 WO claimed
US-20070225316-A1 Methods and compositions for treating schizophrenia MEDIVATION, INC. 2007-09-27 US claimed
WO-2007087425-A1 METHODS AND COMPOSITIONS FOR TREATING SCHIZOPHRENIA MEDIVATION NEUROLOGY,INC. (US) 2007-08-02 WO claimed
US-20070179174-A1 Methods and compositions for slowing aging MEDIVATION, INC. 2007-08-02 US claimed
US-20070117835-A1 Methods and compositions for treating Huntington's disease MEDIVATION NEUROLOGY, INC. 2007-05-24 US claimed
US-20070117834-A1 Methods and compositions for treating Huntington's disease MEDIVATION NEUROLOGY, INC. 2007-05-24 US claimed
WO-2007041697-A2 HYDROGENATED PYRIDO-INDOLE COMPOUNDS FOR THE TREATMENT OF HUNTINGTON ' S DISEASE MEDIVATION, INC. (GB) 2007-04-12 WO claimed
EP-1692131-A2 METHODS AND COMPOSITIONS FOR SLOWING AGING MEDIVATION, INC. (US) 2006-08-23 EP claimed
WO-2005055951-A2 METHODS AND COMPOSITIONS FOR SLOWING AGING MEDIVATION, INC. (US) 2005-06-23 WO claimed
EP-0876818-B1 AGENT FOR TREATING NEURO-DEGENERATIVE DISORDERS SELENA PHARMACEUTICALS INC (US) 2002-12-18 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20100152108-A1 METHODS AND COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE PSEN2, APP, PSEN1 ACHE 12/4885HDAC1 406/4885HDAC6 190/4885
US-20070225316-A1 Methods and compositions for treating schizophrenia SLC6A3, DBH, GRIN3B ACHE 393/4885HDAC1 726/4885HDAC6 607/4885
US-20070179174-A1 Methods and compositions for slowing aging PRDX5, HMOX1, SHMT2 ACHE 398/4885HDAC1 1790/4885HDAC6 855/4885
US-20070117835-A1 Methods and compositions for treating Huntington's disease HTT, HYPK, HTR6 ACHE 171/4885HDAC1 208/4885HDAC6 23/4885
US-20100152225-A1 HYDROGENATED PYRIDO [4,3-B] INDOLES SUCH AS DIMEBON FOR TREATING CANINE COGNITIVE DYSFUNCTION SYNDROME HPD, KYNU, IDO1 ACHE 1153/4885HDAC1 1640/4885HDAC6 1023/4885
US-20100099700-A1 HYDROGENATED PYRIDO (4,3-B) INDOLES FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS (ALS) HTT, NLN, SMN1; SMN2 ACHE 164/4885HDAC1 1533/4885HDAC6 435/4885
US-20070117834-A1 Methods and compositions for treating Huntington's disease HTT, HYPK, HTR6 ACHE 171/4885HDAC1 208/4885HDAC6 23/4885

“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.