SCHEMBL18554707

SCHEMBL18554707

c1csc(-c2ccc3c(c2)CNCC3)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
PNMT P11086 6/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ASIC3 Q9UHC3 2/20 0.47
CD44 P16070 1/20 0.46
MAOB P27338 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.44
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL25404881 0.94 ASIC3 (0.54) NOS3PNMTADRA2AADRA2BADRA2C
SCHEMBL1926437 0.78 KCNH2 (0.50) KCNH2
SCHEMBL10410607 0.78 KCNH2 (0.50) KCNH2
SCHEMBL2200009 0.76 SLC6A11 (0.47) DRD2KCNH2
SCHEMBL30593253 0.75 PNMT (0.59) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL4663734 0.75 PNMT (0.59) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL2238249 0.74 ADORA1 (0.55) KCNH2
SCHEMBL31358816 0.74 ADORA1 (0.55) KCNH2
SCHEMBL2675790 0.73 ASIC3 (0.67) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL8322067 0.73 ASIC3 (0.50) PNMTADRA2AADRA2BADRA2CASIC3

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 7 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-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-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
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

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 NOS3 3021/4885PNMT 4172/4885ADRA2A 3288/4885
US-10865185-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP NOS3 2859/4885PNMT 4243/4885ADRA2A 3269/4885
US-20200207718-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY LDLR, PCSK9, CETP NOS3 2859/4885PNMT 4243/4885ADRA2A 3269/4885
US-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP NOS3 3021/4885PNMT 4172/4885ADRA2A 3288/4885

“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.