Sugi Predict

Sugi Predict / Compounds / SCHEMBL20001137

SCHEMBL20001137

SCHEMBL20001137

COC(=O)c1cc(-c2ccc(Oc3cc4c(cc3OC)CCN[C@]4(C)CC(=O)Nc3nccs3)cn2)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 4/20 0.46
▸ MAP1LC3B Q9GZQ8 4/20 0.46
▸ RAB9A P51151 5/20 0.38
▸ MAPT P10636 2/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NR2E3 Q9Y5X4 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL22687432 0.95 PCSK9 (0.46) PCSK9MAP1LC3BRAB9AMAPTAPEX1
SCHEMBL22687429 0.95 PCSK9 (0.46) PCSK9MAP1LC3BRAB9AMAPTAPEX1
SCHEMBL22697380 0.91 PCSK9 (0.47) PCSK9MAP1LC3BRAB9AMAPTAPEX1
SCHEMBL22687414 0.88 PCSK9 (0.47) PCSK9MAP1LC3BRAB9AMAPTAPEX1
SCHEMBL20001136 0.88 PCSK9 (0.47) PCSK9MAP1LC3BRAB9AMAPTAPEX1
SCHEMBL20001138 0.86 PCSK9 (0.46) PCSK9MAP1LC3BRAB9AMAPTAPEX1
SCHEMBL22687380 0.85 PCSK9 (0.45) PCSK9MAP1LC3BRAB9AMAPTAPEX1
SCHEMBL20001140 0.85 PCSK9 (0.47) PCSK9MAP1LC3BRAB9AMAPTAPEX1
SCHEMBL22687450 0.85 PCSK9 (0.45) PCSK9MAP1LC3BRAB9AMAPTAPEX1
SCHEMBL22687447 0.85 PCSK9 (0.45) PCSK9MAP1LC3BRAB9AMAPTAPEX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515891-B1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS MERCK SHARP & DOHME LLC (US) 2023-03-08 — — EP disclosed
US-11008313-B2 Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders MERCK SHARP & DOHME CORP. (US) 2021-05-18 — — US disclosed
US-20200369657-A1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS MERCK SHARP & DOHME CORP. (US) 2020-11-26 — — US disclosed
WO-2018057409-A1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS MERCK SHARP & DOHME CORP. (US) 2018-03-29 — — 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 (2 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-20200369657-A1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS PCSK9, PCSK7, LDLR PCSK9 1/4885MAP1LC3B 2259/4885RAB9A 1480/4885
US-11008313-B2 Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders PCSK9, PCSK7, LDLR PCSK9 1/4885MAP1LC3B 2190/4885RAB9A 1434/4885

“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.