SCHEMBL21427010

SCHEMBL21427010

CC(C)(C)CC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.54
▸ SLC6A5 Q9Y345 1/20 0.52
▸ CPB2 Q96IY4 8/20 0.47
▸ GNPAT O15228 1/20 0.43
▸ SLC15A2 Q16348 1/20 0.43
▸ NOD1 Q9Y239 3/20 0.42
▸ GSR P00390 1/20 0.42
▸ RNPEP Q9H4A4 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL23011492 1.00 FOLH1 (0.54) FOLH1SLC6A5CPB2GNPATSLC15A2
SCHEMBL14599155 0.82 CTSS (0.50) CPB2
SCHEMBL19385942 0.81 SLC6A5 (0.59) FOLH1SLC6A5CPB2GNPATSLC15A2
SCHEMBL2494433 0.81 SLC6A5 (0.59) FOLH1SLC6A5CPB2GNPATSLC15A2
SCHEMBL2494432 0.81 SLC6A5 (0.59) FOLH1SLC6A5CPB2GNPATSLC15A2
SCHEMBL18272834 0.81 FOLH1 (0.40) FOLH1SLC6A5GNPATNOD1
SCHEMBL28620930 0.81 SLC6A5 (0.53) FOLH1SLC6A5CPB2GNPATSLC15A2
SCHEMBL24766211 0.81 SLC6A5 (0.53) FOLH1SLC6A5CPB2GNPATSLC15A2
SCHEMBL13127074 0.81 MAPT (0.38) FOLH1SLC6A5GNPATNOD1CA2
SCHEMBL1455498 0.81 FOLH1 (0.62) FOLH1SLC6A5CPB2GNPATSLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541049-B2 Tetrahydroisoquinoline derivatives, preparation process and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-01-03 — — US disclosed
US-20210052576-A1 TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-02-25 — — US disclosed
WO-2019184744-A1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USES THEREOF 四川科伦博泰生物医药股份有限公司 2019-10-03 — — 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-11541049-B2 Tetrahydroisoquinoline derivatives, preparation process and use thereof CYP3A4, CYP3A43, CYP11B2 FOLH1 1828/4885SLC6A5 822/4885CPB2 1376/4885
US-20210052576-A1 TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF CYP3A4, CYP3A43, CYP11B2 FOLH1 1828/4885SLC6A5 822/4885CPB2 1376/4885

“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.

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