SCHEMBL17559486

SCHEMBL17559486

NC[C@@H](O)[C@@H]1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.43
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PREP P48147 1/20 0.36

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
SCHEMBL19460804 1.00 ACE (0.43) ACEOPRM1OPRD1OPRK1POLB
SCHEMBL17559433 1.00 ACE (0.43) ACEOPRM1OPRD1OPRK1POLB
SCHEMBL17559463 1.00 ACE (0.43) ACEOPRM1OPRD1OPRK1POLB
SCHEMBL17559368 1.00 ACE (0.43) ACEOPRM1OPRD1OPRK1POLB
SCHEMBL19460646 1.00 ACE (0.43) ACEOPRM1OPRD1OPRK1POLB
SCHEMBL19460801 1.00 ACE (0.43) ACEOPRM1OPRD1OPRK1POLB
SCHEMBL17559367 1.00 ACE (0.43) ACEOPRM1OPRD1OPRK1POLB
SCHEMBL25350020 0.87 ACE (0.44) ACEOPRM1OPRD1OPRK1POLB
SCHEMBL25350023 0.87 ACE (0.44) ACEOPRM1OPRD1OPRK1POLB
SCHEMBL25355545 0.87 ACE (0.44) ACEOPRM1OPRD1OPRK1POLB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493438-B Tetrahydroisoquinoline compounds 南京再明医药有限公司 2023-10-20 CN disclosed
US-20230250108-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AND USE THEREOF NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-08-10 US disclosed
EP-4174064-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AND USE THEREOF Jiangsu Simcere Pharmaceutical Co., Ltd. (CN) 2023-05-03 EP disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
CN-113493438-A Tetrahydroisoquinoline compounds 江苏先声药业有限公司 2021-10-12 CN disclosed
US-11028101-B2 3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies CTXT PTY LTD (AU) 2021-06-08 US disclosed
EP-3426648-B1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2021-05-12 EP disclosed
EP-3426635-B1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LTD (AU) 2021-05-05 EP disclosed
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed
EP-3426351-B1 BENZOPIPERIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LTD (AU) 2020-12-09 EP disclosed
EP-3426647-A1 TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS Ctxt Pty Ltd (AU) 2019-01-16 EP disclosed
EP-3426635-A1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THIER USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES Ctxt Pty Ltd (AU) 2019-01-16 EP disclosed
EP-3426648-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS Ctxt Pty Ltd (AU) 2019-01-16 EP disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153519-A1 3-OXA-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AND THIER USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153520-A1 BENZOPIPERIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
WO-2017153515-A1 TETRAHYDROISOQUINOLINES AS PRMT5-INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
EP-3189041-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS Ctxt Pty Ltd (AU) 2017-07-12 EP disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 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 (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-20230250108-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AND USE THEREOF PRMT5, PRMT1, PRMT3 ACE 2318/4885OPRM1 4353/4885OPRD1 4244/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 ACE 2484/4885OPRM1 1801/4885OPRD1 1573/4885
US-11028101-B2 3-oxa-8-azabicyclo[3.2.1]octane derivatives and their use in the treatment of cancer and hemoglobinopathies HBB, HBZ, HBG2 ACE 4677/4885OPRM1 61/4885OPRD1 127/4885

“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.