SCHEMBL18554654

SCHEMBL18554654

Cc1cc(-c2ccccc2)cc2c1CCNC2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.45
PRCP P42785 1/20 0.44
CD44 P16070 2/20 0.43
PNMT P11086 2/20 0.43
MAOB P27338 1/20 0.43
CYP3A4 P08684 1/20 0.42
ASIC3 Q9UHC3 3/20 0.40
HTR2C P28335 1/20 0.37

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
SCHEMBL30833274 0.81 CD274 (0.46) CD274PRCPCD44PNMTMAOB
SCHEMBL18554747 0.81 CD274 (0.46) CD274PRCPCD44PNMTMAOB
SCHEMBL18554680 0.81 ASIC3 (0.46) PRCPCD44PNMTMAOBCYP3A4
Hydrochloric Acid SCHEMBL18554740 0.80 CD274 (0.45) CD274PRCPCD44PNMTMAOB
SCHEMBL20439975 0.75 HTR2C (0.44) CD44PNMTMAOBASIC3HTR2C
SCHEMBL25244698 0.73 PNMT (0.41) CD44PNMTMAOBASIC3HTR2C
SCHEMBL6347388 0.73 ASIC3 (0.65) CD274PRCPCD44PNMTMAOB
SCHEMBL31020006 0.73 PNMT (0.41) CD44PNMTMAOBASIC3HTR2C
SCHEMBL20425892 0.73 PNMT (0.50) CD44PNMTMAOBASIC3HTR2C
SCHEMBL4663734 0.73 PNMT (0.59) CD44PNMTMAOBASIC3

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 13 patents. 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
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO 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
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-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
EP-3337564-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY Portola Pharmaceuticals, Inc. (US) 2018-06-27 EP disclosed
WO-2017034990-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY PORTOLA PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
WO-2017034990-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY PORTOLA PHARMACEUTICALS, INC. (US) 2017-03-02 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 (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 CD274 983/4885PRCP 350/4885CD44 4521/4885
US-10865185-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP CD274 884/4885PRCP 398/4885CD44 4462/4885
US-20200207718-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY LDLR, PCSK9, CETP CD274 884/4885PRCP 398/4885CD44 4462/4885
US-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP CD274 983/4885PRCP 350/4885CD44 4521/4885

“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.