SCHEMBL7473700

SCHEMBL7473700

COc1ccc2c(c1)CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.58
PTPN1 P18031 3/20 0.57
OPRM1 P35372 2/20 0.54
OPRD1 P41143 2/20 0.54
OPRK1 P41145 2/20 0.54

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
SCHEMBL7473706 1.00 HDAC8 (0.58) HDAC8PTPN1OPRM1OPRD1OPRK1
SCHEMBL7536598 0.89 PTPN1 (0.71) HDAC8PTPN1
SCHEMBL19329100 0.89 PTPN1 (0.71) HDAC8PTPN1
SCHEMBL3991209 0.85 HDAC8 (0.51) HDAC8PTPN1
SCHEMBL30254985 0.85 PTPN1 (0.54) HDAC8PTPN1OPRM1OPRD1OPRK1
SCHEMBL29773931 0.85 PTPN1 (0.54) HDAC8PTPN1OPRM1OPRD1OPRK1
SCHEMBL29502321 0.85 PTPN1 (0.54) HDAC8PTPN1OPRM1OPRD1OPRK1
SCHEMBL19460727 0.85 PTPN1 (0.54) HDAC8PTPN1
SCHEMBL864823 0.85 PTPN1 (0.54) HDAC8PTPN1OPRM1OPRD1OPRK1
SCHEMBL19460728 0.85 PTPN1 (0.54) HDAC8PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426648-B1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2021-05-12 EP disclosed
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors CTXT PTY LTD (AU) 2019-09-24 US disclosed
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2019-03-07 US disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
EP-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP disclosed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5932590-A PEPTIDOMIMETIC IMIDAZOLYL-CONTAINING 1,2,3,4-TETRAHYDRO-QUINOLINES OR AN ANALOGOUS 3-BENZAZEPINES; ANTICARCINOGENIC AND-PROLIFERATIVE AGENTS; POLYCYSTIC KIDNEY DISEASE; RESTENOSIS PREVENTION; HEPATITIS; RETINAL VASCULARZATION MERCK & CO., INC. (US) 1999-08-03 US disclosed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 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 (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-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 HDAC8 707/4885PTPN1 4467/4885OPRM1 1765/4885
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 HDAC8 707/4885PTPN1 4467/4885OPRM1 1765/4885

“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.