SCHEMBL1373499

SCHEMBL1373499

CC1(C)CC(Oc2ccc(-c3ccc(C4(C(=O)O)CC4)cc3F)cc2)CC(C)(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 1.00
CYP2C9 P11712 7/20 1.00
CYP2C19 P33261 7/20 1.00
CYP3A4 P08684 6/20 1.00
CYP2D6 P10635 3/20 1.00
CYP1A2 P05177 1/20 1.00
AKR1C3 P42330 6/20 0.56
AKR1C2 P52895 6/20 0.56
AKR1C1 Q04828 3/20 0.56
AKR1B10 O60218 1/20 0.56
AKR1C4 P17516 1/20 0.56
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53

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
SCHEMBL5479423 0.91 APP (0.84) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1374640 0.88 APP (0.79) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1371389 0.84 APP (0.80) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1373512 0.82 APP (1.00) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1374496 0.80 APP (1.00) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3942347 0.78 APP (0.92) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3936259 0.78 APP (0.90) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1371367 0.78 APP (0.65) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL4990072 0.77 APP (0.89) APPCYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL1374499 0.76 APP (0.71) APPCYP2C9CYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US claimed
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MYRIAD GENETICS, INCORPORATED (US) 2007-01-18 US claimed
WO-2006020850-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO claimed
WO-2006020852-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO claimed
US-9592210-B2 1-phenylalkanecarboxylic acid derivatives for the treatment of cognitive impairment CHIESI FARMACEUTICI S.P.A. (IT) 2017-03-14 US disclosed
WO-2015173133-A1 FORMULATIONS AND METHODS OF TREATING ALZHEIMER'S DISEASE AND OTHER PROTEINOPATHIES BY COMBINATION THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-19 WO disclosed
US-20150320706-A1 FORMULATIONS AND METHODS OF TREATING ALZHEIMER'S DISEASE AND OTHER PROTEINOPATHIES BY COMBINATION THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-12 US disclosed
US-20150065567-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND MULTIPLE SCLEROSIS CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-05 US disclosed
US-20130165505-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-27 US disclosed
US-8314268-B2 1-phenylalkanecarboxylic acid derivatives for the treatment of neurodegenerative diseases CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-20 US disclosed
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US disclosed
US-20070293538-A1 Pharmaceutical Composition And Methods For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-12-20 US disclosed
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US disclosed
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US disclosed
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES MYRIAD GENETICS, INCORPORATED (US) 2007-04-05 US disclosed
US-20070060752-A1 1-(2-Fluoro-4'-trifluoromethylbiphenyl-4-yl)cyclopropanecarboxylic acid, for example; treatment and/or prevention of Alzheimer's disease; inhibiting the release of A beta 42 peptide thereby being able to modulate gamma-secretase activity without affecting other important metabolic processes CHIESI FARMACEUTICI S.P.A. (IT) 2007-03-15 US disclosed
US-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MYRIAD GENETICS, INCORPORATED (US) 2007-01-18 US 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 (11 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-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MME, AVPR1B, AVPR2 APP 2522/4885CYP2C9 3765/4885CYP2C19 2701/4885
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT APP 21/4885CYP2C9 1035/4885CYP2C19 540/4885
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT APP 29/4885CYP2C9 1156/4885CYP2C19 630/4885
US-20130165505-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT PSEN1, PSEN2, NAT1 APP 15/4885CYP2C9 1978/4885CYP2C19 1159/4885
US-20150320706-A1 FORMULATIONS AND METHODS OF TREATING ALZHEIMER'S DISEASE AND OTHER PROTEINOPATHIES BY COMBINATION THERAPY MAPT, GABRA5, MAP1LC3A APP 6/4885CYP2C9 4477/4885CYP2C19 4354/4885
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES PSEN2, APP, PSEN1 APP 2/4885CYP2C9 4757/4885CYP2C19 4045/4885
US-20070060752-A1 1-(2-Fluoro-4'-trifluoromethylbiphenyl-4-yl)cyclopropanecarboxylic acid, for example; treatment and/or prevention of Alzheimer's disease; inhibiting the release of A beta 42 peptide thereby being able to modulate gamma-secretase activity without affecting other important metabolic processes BACE1, APP, BACE2 APP 2/4885CYP2C9 1801/4885CYP2C19 1262/4885
US-20070293538-A1 Pharmaceutical Composition And Methods For Treating Neurodegenerative Disorders GRN, NLN, PSEN1 APP 9/4885CYP2C9 556/4885CYP2C19 235/4885
US-20150065567-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND MULTIPLE SCLEROSIS PSEN1, APP, PSEN2 APP 2/4885CYP2C9 3448/4885CYP2C19 3534/4885
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT APP 21/4885CYP2C9 1035/4885CYP2C19 540/4885
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS SLC6A3, SLC6A2, FKBP5 APP 2500/4885CYP2C9 2722/4885CYP2C19 1083/4885

“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.