SCHEMBL420827

SCHEMBL420827

COc1ccc2cc(C(=O)CCC3CCN(Cc4ccccc4)CC3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.61
DRD4 P21917 1/20 0.61
ACHE P22303 12/20 0.58
BCHE P06276 4/20 0.54

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
SCHEMBL219388 0.87 ACHE (0.59) DRD2DRD4ACHEBCHE
SCHEMBL221425 0.86 ACHE (0.63) DRD2DRD4ACHEBCHE
SCHEMBL220925 0.83 ACHE (0.57) DRD2DRD4ACHEBCHE
SCHEMBL421932 0.82 ACHE (0.59) DRD2DRD4ACHEBCHE
SCHEMBL218919 0.81 ACHE (0.56) DRD2DRD4ACHEBCHE
SCHEMBL220628 0.81 ACHE (0.58) DRD2DRD4ACHEBCHE
SCHEMBL219465 0.79 MEN1 (0.62) DRD2DRD4ACHEBCHE
SCHEMBL221655 0.78 ACHE (0.57) DRD2DRD4ACHEBCHE
SCHEMBL9572505 0.75 DRD2 (0.63) DRD2DRD4ACHEBCHE
SCHEMBL7806514 0.74 ACHE (0.67) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed
US-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ZORN STEVIN H (US) 2002-05-02 US claimed
EP-1201268-A2 Combinations of D4 dopamine receptor antagonists with acetylcholine esterase inhibitors Pfizer Products Inc. (US) 2002-05-02 EP claimed
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-11-26 US disclosed
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-06 US disclosed
EP-1910385-B1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC (US) 2013-07-24 EP disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-20110009496-A1 RESVERATROL FORMULATIONS SIRTRIS PHARMACEUTICAS, INC. (US) 2011-01-13 US disclosed
US-20070248590-A1 Modulators of CDC2-like kinases (CLKS) and methods of use thereof SIRTRIS PHARMACEUTICALS, INC. (US) 2007-10-25 US disclosed
US-20060058267-A1 Pharmaceutical compositions comprising a NOS inhibitor PFIZER INC 2006-03-16 US disclosed
US-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors CHEN YUHPYNG L (US) 2002-04-25 US disclosed
US-6358941-B1 ADMINISTERING GALANTAMINE OR DERIVATIVE; SIDE EFFECT REDUCTION Snorrason, Ernir (IS) 2002-03-19 US disclosed
US-6303633-B1 FOR THERAPY AND PROPHYLAXIS OF ALZHEIMER'S DISEASE PFIZER INC 2001-10-16 US disclosed
US-6124321-A Heteroaryl amines as novel acetyl cholinesterase inhibitors PFIZER INC (US) 2000-09-26 US disclosed
US-5965574-A Heteroaryl amines as novel acetylcholinesterase inhibitors CHEN YUHPYNG LIANG (US) 1999-10-12 US disclosed
EP-0918523-A1 TREATMENT OF ARTHRITIS DISORDERS, RHEUMATOID ARTHRITIS AND MANIFESTATIONS ASSOCIATED WITH RHEUMATOID DISORDERS Snorrason, Ernir (IS) 1999-06-02 EP disclosed
US-5574046-A Heteroaryl amines as novel acetylcholinesterase inhibitors PFIZER INC. (US) 1996-11-12 US disclosed
EP-0606248-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS Eisai Co., Ltd. (JP) 1994-07-20 EP disclosed
WO-1993007140-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS PFIZER INC. (US) 1993-04-15 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 (9 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-20020052373-A1 Combination treatment for dementia or cognitive deficits associated with alzheimer's disease and parkinson's disease ACHE, BCHE, CHRM4 DRD2 35/4885DRD4 31/4885ACHE 1/4885
US-20110009496-A1 RESVERATROL FORMULATIONS SIRT1, SIRT5, SIRT2 DRD2 2004/4885DRD4 1792/4885ACHE 3601/4885
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NNT, CS, ME2 DRD2 3604/4885DRD4 3906/4885ACHE 4624/4885
US-20060058267-A1 Pharmaceutical compositions comprising a NOS inhibitor NOS1, NOS2, NOS3 DRD2 1956/4885DRD4 2806/4885ACHE 94/4885
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 DRD2 751/4885DRD4 1467/4885ACHE 27/4885
US-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors ACHE, BCHE, CHAT DRD2 153/4885DRD4 203/4885ACHE 1/4885
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof NNT, CS, ME2 DRD2 3604/4885DRD4 3906/4885ACHE 4624/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 DRD2 4550/4885DRD4 4789/4885ACHE 1600/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 DRD2 4550/4885DRD4 4789/4885ACHE 1600/4885

“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.