SCHEMBL219465

SCHEMBL219465

COc1ccc2cc(C(=O)CCC3CCN(Cc4ccccc4)CC3)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
KMT2A Q03164 1/20 0.62
DRD2 P14416 1/20 0.61
DRD4 P21917 1/20 0.61
ACHE P22303 13/20 0.60
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
BACE1 P56817 1/20 0.59
HTR4 Q13639 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
BCHE P06276 5/20 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
SCHEMBL250595 0.87 ACHE (0.59) DRD2DRD4ACHEMAOAMAOB
SCHEMBL250719 0.80 ACHE (0.58) DRD2DRD4ACHEMAOAMAOB
SCHEMBL4737625 0.79 DRD2 (0.61) MEN1NPC1KMT2ADRD2DRD4
SCHEMBL420827 0.79 DRD2 (0.61) DRD2DRD4ACHEBCHE
SCHEMBL252049 0.79 NAMPT (0.56) DRD2DRD4ACHEMAOAMAOB
SCHEMBL250703 0.78 ACHE (0.57) DRD2DRD4ACHEMAOAMAOB
SCHEMBL7594227 0.77 ACHE (0.55) MEN1KMT2AACHEMAOAMAOB
SCHEMBL4737630 0.76 MEN1 (0.51) MEN1NPC1KMT2ADRD2DRD4
SCHEMBL9572505 0.75 DRD2 (0.63) DRD2DRD4ACHEMAOBHTR4
SCHEMBL18768425 0.75 MEN1 (0.51) MEN1NPC1KMT2ADRD2DRD4

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 85 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-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-06-11 US disclosed
WO-2018033639-A1 LACTONE INTERMEDIATES OF NICOTINAMIDE RIBOSIDE AND NICOTINATE RIBOSIDE THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2018-02-22 WO 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-3152220-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-12 EP disclosed
EP-3149016-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-05 EP disclosed
WO-2015186114-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-10 WO disclosed
WO-2015186068-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-10 WO 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 (6 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 MEN1 3739/4885NPC1 714/4885KMT2A 2509/4885
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NNT, CS, ME2 MEN1 1467/4885NPC1 1041/4885KMT2A 2811/4885
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 MEN1 3328/4885NPC1 1031/4885KMT2A 994/4885
US-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors ACHE, BCHE, CHAT MEN1 3891/4885NPC1 1310/4885KMT2A 353/4885
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside NNT, HADHB, NAMPT MEN1 2090/4885NPC1 367/4885KMT2A 4479/4885
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof NNT, CS, ME2 MEN1 1467/4885NPC1 1041/4885KMT2A 2811/4885

“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.