SCHEMBL18554696

SCHEMBL18554696

Oc1cccc(-c2ccc3c(c2)CNCC3)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.55
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CFD P00746 1/20 0.50
F11 P03951 1/20 0.50
PNMT P11086 4/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
TDP2 O95551 1/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
CD44 P16070 1/20 0.47
MAOB P27338 1/20 0.47
CD274 Q9NZQ7 1/20 0.47

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 0.83 PNMT (0.59) ASIC3CFDF11PNMTADRA2A
SCHEMBL4663734 0.83 PNMT (0.59) ASIC3CFDF11PNMTADRA2A
SCHEMBL470826 0.81 PNMT (0.66) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL18554743 0.81 ASIC3 (0.58) ASIC3PNMTADRA2AADRA2BADRA2C
SCHEMBL14904917 0.81 ASIC3 (0.55) ASIC3PNMTADRA2AADRA2BADRA2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL4892220 0.80 PNMT (0.66) ASIC3CFDF11PNMTADRA2A
Hydrochloric Acid SCHEMBL2675120 0.79 PNMT (0.63) PNMTADRA2AADRA2BADRA2CDRD2
Bromide SCHEMBL6190676 0.79 PNMT (0.63) PNMTADRA2AADRA2BADRA2CDRD2
Hydrochloric Acid SCHEMBL30955057 0.79 PNMT (0.63) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL18554684 0.78 CD274 (0.49) ASIC3HSD17B1HSD17B2CYP3A4PNMT

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 8 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
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 ASIC3 4460/4885HSD17B1 157/4885HSD17B2 308/4885
US-10865185-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP ASIC3 4467/4885HSD17B1 142/4885HSD17B2 294/4885
US-20200207718-A1 COMPOSITION AND METHODS OF USE OF TETRAHYDROISOQUINOLINE SMALL MOLECULES TO BIND AND MODULATE PCSK9 PROTEIN ACTIVITY LDLR, PCSK9, CETP ASIC3 4467/4885HSD17B1 142/4885HSD17B2 294/4885
US-11945782-B2 Composition and methods of use of tetrahydroisoquinoline small molecules to bind and modulate PCSK9 protein activity LDLR, PCSK9, CETP ASIC3 4460/4885HSD17B1 157/4885HSD17B2 308/4885

“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.