Sugi Predict

Sugi Predict / Compounds / SCHEMBL4663734

SCHEMBL4663734

SCHEMBL4663734

c1ccc(-c2ccc3c(c2)CNCC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 6/20 0.59
▸ CD44 P16070 1/20 0.59
▸ MAOB P27338 1/20 0.59
▸ ASIC3 Q9UHC3 3/20 0.56
▸ ADRA2A P08913 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ DRD2 P14416 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ CFD P00746 1/20 0.51
▸ F11 P03951 1/20 0.51
▸ PARP10 Q53GL7 1/20 0.50
▸ PARP11 Q9NR21 1/20 0.50

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
SCHEMBL30593253 1.00 PNMT (0.59) PNMTCD44MAOBASIC3ADRA2A
1,2,3,4-Tetrahydroisoquinoline SCHEMBL4892220 0.96 PNMT (0.66) PNMTCD44MAOBASIC3ADRA2A
SCHEMBL6347388 0.93 ASIC3 (0.65) PNMTCD44MAOBASIC3DRD2
SCHEMBL8676339 0.84 TYRO3 (0.50) PNMTCD44MAOBASIC3PARP10
Biphenyl SCHEMBL27799394 0.84 PNMT (0.83) PNMTCD44MAOBASIC3ADRA2A
SCHEMBL29543554 0.84 TYRO3 (0.50) PNMTCD44MAOBASIC3PARP10
SCHEMBL7216445 0.84 ASIC3 (0.54) PNMTASIC3ADRA2AADRA2BADRA2C
SCHEMBL18554743 0.83 ASIC3 (0.58) PNMTCD44MAOBASIC3ADRA2A
SCHEMBL14904917 0.83 ASIC3 (0.55) PNMTCD44MAOBASIC3ADRA2A
SCHEMBL18554696 0.83 ASIC3 (0.55) PNMTCD44MAOBASIC3ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity SRX CARDIO, LLC (US) 2024-04-02 — — US claimed
US-10865185-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity SRX CARDIO, LLC (US) 2020-12-15 — — US claimed
US-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity SRX CARDIO, LLC (US) 2024-04-02 — — US disclosed
CN-116789641-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2023-09-22 — — CN disclosed
WO-2023174383-A1 DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-09-21 — — WO disclosed
CN-110878048-B Anilines as psychotropic disorders 中国科学院上海药物研究所 2023-03-17 — — CN disclosed
US-20210309613-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO, LLC 2021-10-07 — — US disclosed
US-20210309613-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO, LLC 2021-10-07 — — US disclosed
US-10865185-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity SRX CARDIO, LLC (US) 2020-12-15 — — US disclosed
US-10865185-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity SRX CARDIO, LLC (US) 2020-12-15 — — US disclosed
US-20200207718-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO, LLC 2020-07-02 — — US disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 — — US disclosed
EP-0687267-B1 PYRROLO-PYRIDINE DERIVATIVES AS LIGANDS OF DOPAMINE RECEPTOR MERCK SHARP & DOHME (GB) 1999-09-01 — — EP disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 — — WO disclosed
EP-0873317-A1 PYRIMIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-10-28 — — EP disclosed
US-5700809-A Pyrrolo-pyridine derivatives MERCK SHARP & DOHME, LTD. (GB) 1997-12-23 — — US disclosed
US-5688798-A PSYCHOTIC ILLNESS SUCH AS SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1997-11-18 — — US disclosed
WO-1997013759-A1 PYRIMIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-04-17 — — WO disclosed
EP-0687267-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-12-20 — — EP disclosed
WO-1994020459-A2 PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 — — 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 (4 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-20210309613-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY LDLR, PCSK9, CETP PNMT 4172/4885CD44 4521/4885MAOB 1748/4885
US-10865185-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP PNMT 4243/4885CD44 4462/4885MAOB 1951/4885
US-20200207718-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY LDLR, PCSK9, CETP PNMT 4243/4885CD44 4462/4885MAOB 1951/4885
US-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP PNMT 4172/4885CD44 4521/4885MAOB 1748/4885

“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.