SCHEMBL2082433

SCHEMBL2082433

O=C(O)C1Cc2c(Br)ccc(O)c2CN1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.43
GRIA2 P42262 1/20 0.43
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4356965 1.00 EGLN1 (0.43) EGLN1GRIA2OPRM1OPRL1KCNH2
SCHEMBL2083113 0.82 KDM4E (0.49) OPRM1OPRL1KCNH2CYP1A2GAA
SCHEMBL4355561 0.82 KDM4E (0.49) OPRM1OPRL1KCNH2CYP1A2GAA
Hydrochloric Acid SCHEMBL2082747 0.81 KDM4E (0.48) OPRM1OPRL1KCNH2CYP1A2GAA
SCHEMBL6472971 0.81 EGLN1 (0.43) EGLN1GRIA2CYP1A2GAAMAPT
SCHEMBL31651974 0.75 EGLN1 (0.43) EGLN1GRIA2GAAMAPT
SCHEMBL16268692 0.75 EGLN1 (0.43) EGLN1GRIA2GAAMAPT
SCHEMBL32677215 0.75 GAA (0.45) EGLN1GRIA2GAAMAPT
SCHEMBL30543100 0.75 EGLN1 (0.43) EGLN1GRIA2GAAMAPT
SCHEMBL17977221 0.75 GAA (0.45) EGLN1GRIA2GAAMAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891369-B2 Compounds for binding proprotein convertase subtilisin/kexin type 9 SRX CARDIO, LLC (US) 2024-02-06 US disclosed
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 SRX CARDIO, LLC 2021-02-04 US disclosed
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 SRX CARDIO, LLC 2021-02-04 US disclosed
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC 2019-04-25 US disclosed
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC 2019-04-25 US disclosed
WO-2017147328-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PORTOLA PHARMACEUTICALS, INC. (US) 2017-08-31 WO disclosed
WO-2017147328-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PORTOLA PHARMACEUTICALS, INC. (US) 2017-08-31 WO disclosed
US-7902218-B2 Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7902218-B2 Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7902218-B2 Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 US disclosed
WO-2005016913-A1 TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS PFIZER JAPAN, INC. (JP) 2005-02-24 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-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BACE1, APP, BACE2 EGLN1 2653/4885GRIA2 301/4885OPRM1 3932/4885
US-11891369-B2 Compounds for binding proprotein convertase subtilisin/kexin type 9 PCSK9, PCSK6, PCSK7 EGLN1 3151/4885GRIA2 4676/4885OPRM1 4699/4885
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 EGLN1 1574/4885GRIA2 116/4885OPRM1 8/4885
US-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP EGLN1 846/4885GRIA2 1832/4885OPRM1 3142/4885
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 PCSK9, PCSK6, PCSK7 EGLN1 3116/4885GRIA2 4713/4885OPRM1 4606/4885
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 EGLN1 3183/4885GRIA2 4741/4885OPRM1 4708/4885

“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.