SCHEMBL4205102

SCHEMBL4205102

O=C(NCC1CCCCC1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
EPHX1 P07099 2/20 0.56
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
F13A1 P00488 1/20 0.52
TGM2 P21980 1/20 0.52
TGM1 P22735 1/20 0.52
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.51
CASP1 P29466 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49

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
SCHEMBL8396585 1.00 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AEPHX1LMNA
Bicarbonate SCHEMBL7266316 0.99 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AEPHX1LMNA
SCHEMBL8029231 0.98 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AEPHX1LMNA
SCHEMBL8395084 0.95 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AEPHX1LMNA
SCHEMBL8393648 0.92 LMNA (0.58) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9185615 0.91 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AEPHX1LMNA
SCHEMBL29652185 0.87 LMNA (0.52) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14451403 0.87 LMNA (0.52) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL26246109 0.87 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL23175799 0.86 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AEPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-06-15 US disclosed
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-01-10 US disclosed
WO-2021146629-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2021-07-22 WO disclosed
EP-2385053-A2 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI Pharmaceuticals, Inc. (US) 2011-11-09 EP disclosed
EP-2325186-A2 Fused Bicyclic mTor Inhibitors OSI Pharmaceuticals, Inc. (US) 2011-05-25 EP disclosed
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
WO-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
WO-2000063170-A1 CYCLOBUTENE-3,4-DIONE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 5 SANOFI-SYNTHELABO (FR) 2000-10-26 WO disclosed
WO-2000063160-A1 2-ALKOXY-CYCLOBUTENE-3,4-DIONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2000-10-26 WO disclosed
WO-2000051973-A1 CYCLOBUTENE-3,4-DIONE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-09-08 WO disclosed
CN-1224001-A Process for preparation of carbonates and polycarbonates MONSANTO CO (US) 1999-07-28 CN disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US 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-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 ALDH1A1 895/4885MEN1 4214/4885KMT2A 917/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 ALDH1A1 895/4885MEN1 4214/4885KMT2A 917/4885

“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.