SCHEMBL22972745

SCHEMBL22972745

CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CBr

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.59
KLK5 Q9Y337 2/20 0.59
MAPT P10636 2/20 0.59
ABCB1 P08183 1/20 0.56
FOLH1 Q04609 2/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PAX8 Q06710 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51

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
SCHEMBL29072109 0.91 KLK7 (0.60) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL29072115 0.91 KLK7 (0.60) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL28902004 0.90 KLK7 (0.59) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL28902002 0.90 KLK7 (0.59) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL1303931 0.89 MAPT (0.68) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL17309872 0.89 MAPT (0.68) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL29460388 0.89 KLK7 (0.61) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL29727709 0.87 KLK7 (0.57) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL20450594 0.87 FOLH1 (0.60) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL20450593 0.87 FOLH1 (0.60) KLK7KLK5MAPTABCB1FOLH1

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-3778597-B1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USES THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2025-05-28 EP disclosed
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
EP-3778597-A1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USES THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-02-17 EP 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 KLK7 2428/4885KLK5 1372/4885MAPT 81/4885
US-20210052576-A1 TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF CYP3A4, CYP3A43, CYP11B2 KLK7 2428/4885KLK5 1372/4885MAPT 81/4885

“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.