SCHEMBL1375280

SCHEMBL1375280

O=C(O)C1(c2ccc(-c3ccc(C4CCCCCC4)cc3)c(F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 1.00
APP P05067 11/20 0.79
CYP2C9 P11712 8/20 0.79
CYP2C19 P33261 6/20 0.79
CYP2D6 P10635 3/20 0.79
AKR1C3 P42330 6/20 0.59
AKR1C2 P52895 6/20 0.59
AKR1C1 Q04828 3/20 0.59
AKR1B10 O60218 1/20 0.59
AKR1C4 P17516 1/20 0.59
PSEN1 P49768 1/20 0.59
PSEN2 P49810 1/20 0.59
APH1B Q8WW43 1/20 0.59
NCSTN Q92542 1/20 0.59
APH1A Q96BI3 1/20 0.59
PSENEN Q9NZ42 1/20 0.59
CYP1A2 P05177 1/20 0.54
HDAC1 Q13547 1/20 0.41

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
SCHEMBL1375291 1.00 CYP3A4 (1.00) CYP3A4APPCYP2C9CYP2C19CYP2D6
SCHEMBL1372746 0.99 CYP3A4 (0.98) CYP3A4APPCYP2C9CYP2C19CYP2D6
SCHEMBL5323298 0.91 CYP3A4 (0.82) CYP3A4APPCYP2C9CYP2C19CYP2D6
SCHEMBL1374627 0.88 APP (1.00) CYP3A4APPCYP2C9CYP2C19CYP2D6
SCHEMBL1371328 0.88 CYP3A4 (0.79) CYP3A4APPCYP2C9CYP2C19CYP2D6
SCHEMBL1372791 0.88 CYP3A4 (0.79) CYP3A4APPCYP2C9CYP2C19CYP2D6
SCHEMBL3942247 0.86 CYP3A4 (0.74) CYP3A4APPCYP2C9CYP2C19CYP2D6
SCHEMBL3938733 0.82 CYP3A4 (0.70) CYP3A4APPCYP2C9CYP2C19CYP2D6
SCHEMBL1371389 0.82 APP (0.80) CYP3A4APPCYP2C9CYP2C19CYP2D6
SCHEMBL1371366 0.80 APP (0.97) CYP3A4APPCYP2C9CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046119-A2 TREATMENT OF PSYCHIATRIC DISORDERS Myriad Genetics, Inc. (US) 2009-04-15 EP claimed
WO-2008036733-A2 METHODS FOR TREATMENT OF VESICLE TRANSPORT DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-27 WO claimed
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US claimed
WO-2008006099-A2 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INC. (US) 2008-01-10 WO 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-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES MYRIAD GENETICS, INCORPORATED (US) 2007-04-05 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
WO-2006020853-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
WO-2006001877-A2 COMBINATION TREATMENT FOR NEURODEGENERATIVE DISORDERS COMPRISING R-FLURBIPROFEN MYRIAD GENETICS, INC. (US) 2006-01-05 WO disclosed
US-20050288375-A1 Method and composition for treating neurodegenerative disorders MYRIAD GENETICS, INCORPORATED (US) 2005-12-29 US disclosed
EP-1594833-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CHIESI FARMACEUTICI S.p.A. (IT) 2005-11-16 EP disclosed
WO-2004074232-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2004-09-02 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-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MME, AVPR1B, AVPR2 CYP3A4 3614/4885APP 2522/4885CYP2C9 3765/4885
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT CYP3A4 705/4885APP 21/4885CYP2C9 1035/4885
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT CYP3A4 745/4885APP 29/4885CYP2C9 1156/4885
US-20150320706-A1 FORMULATIONS AND METHODS OF TREATING ALZHEIMER'S DISEASE AND OTHER PROTEINOPATHIES BY COMBINATION THERAPY MAPT, GABRA5, MAP1LC3A CYP3A4 4275/4885APP 6/4885CYP2C9 4477/4885
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES PSEN2, APP, PSEN1 CYP3A4 4028/4885APP 2/4885CYP2C9 4757/4885
US-20150065567-A1 1-PHENYLALKANECARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND MULTIPLE SCLEROSIS PSEN1, APP, PSEN2 CYP3A4 3081/4885APP 2/4885CYP2C9 3448/4885
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT CYP3A4 705/4885APP 21/4885CYP2C9 1035/4885
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS SLC6A3, SLC6A2, FKBP5 CYP3A4 1942/4885APP 2500/4885CYP2C9 2722/4885
US-20050288375-A1 Method and composition for treating neurodegenerative disorders GRIN2A, GRIN2B, GRIN3A CYP3A4 213/4885APP 8/4885CYP2C9 56/4885

“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.