SCHEMBL23780715

SCHEMBL23780715

COc1cccc(CC(NC(=O)OC(C)(C)C)C(=O)O)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.53
ACE P12821 3/20 0.52
TACR1 P25103 1/20 0.51
BCHE P06276 5/20 0.50
PTPN1 P18031 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MME P08473 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
PPARG P37231 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL19155424 1.00 PPARA (0.53) PPARAACETACR1BCHEPTPN1
SCHEMBL28906216 0.93 TACR1 (0.55) PPARATACR1BCHEMEN1KMT2A
SCHEMBL19155378 0.93 TACR1 (0.55) PPARATACR1BCHEMEN1KMT2A
SCHEMBL17772599 0.88 PPARA (0.54) PPARAACEPTPN1MMECPA1
SCHEMBL17772589 0.88 PPARA (0.54) PPARAACEPTPN1MMECPA1
SCHEMBL17772603 0.88 PPARA (0.54) PPARAACEPTPN1MMECPA1
SCHEMBL2584592 0.87 ACE (0.61) PPARAACETACR1PTPN1MME
SCHEMBL8964028 0.86 BCHE (0.55) ACEBCHEMEN1KMT2AMME
SCHEMBL8964021 0.86 BCHE (0.55) ACEBCHEMEN1KMT2AMME
SCHEMBL17773464 0.86 ITGB3 (0.49) ACETACR1PTPN1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313222-B Tetrahydroisoquinoline derivative, preparation method and application thereof 浙江海正药业股份有限公司 2024-01-26 CN disclosed
US-20230242522-A1 SALT OF TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-08-03 US disclosed
EP-4177253-A1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2023-05-10 EP disclosed
US-11384097-B2 Tetrahydroisoquinoline derivative, preparation method therefor and use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2022-07-12 US disclosed
CN-113880825-A Salt of tetrahydroisoquinoline derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2022-01-04 CN disclosed
US-20210277021-A1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2021-09-09 US disclosed
CN-112313222-A Tetrahydroisoquinoline derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2021-02-02 CN 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 (3 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-11384097-B2 Tetrahydroisoquinoline derivative, preparation method therefor and use thereof AGTR2, AGTR1, AVPR2 PPARA 1761/4885ACE 17/4885TACR1 28/4885
US-20230242522-A1 SALT OF TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF AGTR2, AGTR1, SLC5A11 PPARA 1466/4885ACE 17/4885TACR1 69/4885
US-20210277021-A1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF AGTR2, AGTR1, AVPR2 PPARA 1761/4885ACE 17/4885TACR1 28/4885

“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.