SCHEMBL168248

SCHEMBL168248

CN1CCc2[nH]c3ccccc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 1.00
KDM4E B2RXH2 2/20 0.77
DRD2 P14416 4/20 0.73
DRD1 P21728 4/20 0.73
DRD4 P21917 4/20 0.73
DRD5 P21918 4/20 0.73
DRD3 P35462 4/20 0.73
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
MEN1 O00255 1/20 0.64
GMNN O75496 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADRA1D P25100 1/20 0.64
CYP2C19 P33261 1/20 0.64
ADRA1A P35348 1/20 0.64
ADRA1B P35368 1/20 0.64
MTOR P42345 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64

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
SCHEMBL30324538 1.00 CHRNA7 (1.00) CHRNA7KDM4EDRD2DRD1DRD4
SCHEMBL10155118 0.90 CHRNA7 (0.82) CHRNA7KDM4EDRD2DRD1DRD4
SCHEMBL8260736 0.88 KDM4E (0.79) CHRNA7KDM4EDRD2DRD1DRD4
SCHEMBL13221344 0.88 CHRNA7 (0.78) CHRNA7KDM4EDRD2DRD1DRD4
SCHEMBL1055807 0.87 KDM4E (1.00) CHRNA7KDM4EDRD2DRD1DRD4
SCHEMBL11530753 0.84 KDM4E (0.73) CHRNA7KDM4EDRD2DRD1DRD4
SCHEMBL13194931 0.82 CHRNA7 (0.69) CHRNA7KDM4EDRD2DRD1DRD4
Iodomethane SCHEMBL11526001 0.81 KDM4E (0.69) CHRNA7KDM4EDRD2DRD1DRD4
SCHEMBL30704370 0.80 SIGMAR1 (0.70) CHRNA7KDM4EACHESIGMAR1
SCHEMBL15977201 0.80 L3MBTL1 (0.76) CHRNA7KDM4EDRD2DRD1DRD4

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 187 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-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
US-20080234310-A1 Methods and Compositions for Slowing Aging MEDIVATION, INC. 2008-09-25 US claimed
WO-2008036410-A2 METHODS AND COMPOSITIONS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS (ALS) 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 (8 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 CHRNA7 161/4885KDM4E 798/4885DRD2 674/4885
US-20070225316-A1 Methods and compositions for treating schizophrenia SLC6A3, DBH, GRIN3B CHRNA7 147/4885KDM4E 710/4885DRD2 39/4885
US-20070179174-A1 Methods and compositions for slowing aging PRDX5, HMOX1, SHMT2 CHRNA7 1850/4885KDM4E 1455/4885DRD2 4135/4885
US-20070117835-A1 Methods and compositions for treating Huntington's disease HTT, HYPK, HTR6 CHRNA7 515/4885KDM4E 954/4885DRD2 749/4885
US-20100152225-A1 HYDROGENATED PYRIDO [4,3-B] INDOLES SUCH AS DIMEBON FOR TREATING CANINE COGNITIVE DYSFUNCTION SYNDROME HPD, KYNU, IDO1 CHRNA7 415/4885KDM4E 512/4885DRD2 182/4885
US-20100099700-A1 HYDROGENATED PYRIDO (4,3-B) INDOLES FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS (ALS) HTT, NLN, SMN1; SMN2 CHRNA7 1180/4885KDM4E 469/4885DRD2 878/4885
US-20070117834-A1 Methods and compositions for treating Huntington's disease HTT, HYPK, HTR6 CHRNA7 515/4885KDM4E 954/4885DRD2 749/4885
US-20080234310-A1 Methods and Compositions for Slowing Aging PRDX5, HMOX1, SHMT2 CHRNA7 1850/4885KDM4E 1455/4885DRD2 4135/4885

“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.