SCHEMBL18554697

SCHEMBL18554697

Cc1cc(CC#N)ccc1-c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.39
MBNL1 Q9NR56 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
ACHE P22303 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN8A Q9UQD0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MMP3 P08254 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
GRIA4 P48058 1/20 0.33

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
SCHEMBL12050457 0.80 ESR2 (0.49) ENPP2LMNAL3MBTL1KDM4EMMP3
SCHEMBL12388488 0.80 PDK2 (0.43) MBNL1CYP11B1CYP11B2ACHELMNA
SCHEMBL909509 0.79 SLC6A2 (0.41) ENPP2CYP11B1CYP11B2ACHETDP1
SCHEMBL18554678 0.79 HTR7 (0.51)
SCHEMBL8282785 0.75 DAO (0.41) ENPP2PTPRCPTPN1CYP11B1CYP11B2
SCHEMBL5103341 0.75 MMP3 (0.44) ENPP2LMNAMMP3ABCB1ABCG2
Methane SCHEMBL7037141 0.73 MMP3 (0.42) ENPP2LMNAMMP3ABCB1ABCG2
SCHEMBL14850866 0.73 ELANE (0.45) MBNL1PTPRCPTPN1TNKSTNKS2
SCHEMBL3244749 0.73 HTT (0.44) ENPP2TDP1LMNAL3MBTL1KDM4E
Toluene SCHEMBL27295519 0.71 CTSB (0.41) ENPP2ACHETDP1LMNAL3MBTL1

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 6 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 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 ENPP2 975/4885MBNL1 748/4885PTPRC 577/4885
US-10865185-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP ENPP2 1106/4885MBNL1 703/4885PTPRC 616/4885
US-20200207718-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY LDLR, PCSK9, CETP ENPP2 1106/4885MBNL1 703/4885PTPRC 616/4885
US-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP ENPP2 975/4885MBNL1 748/4885PTPRC 577/4885

“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.