SCHEMBL539874

SCHEMBL539874

O=C(O)[C@@H]1Cc2ccc(O)cc2CN1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
EGLN1 Q9GZT9 1/20 0.46
OPRK1 P41145 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL29584516 1.00 KCNH2 (0.46) KCNH2EGLN1OPRK1OPRM1OPRD1
SCHEMBL29589035 1.00 KCNH2 (0.46) KCNH2EGLN1OPRK1OPRM1OPRD1
SCHEMBL539875 1.00 KCNH2 (0.46) KCNH2EGLN1OPRK1OPRM1OPRD1
SCHEMBL1280052 1.00 KCNH2 (0.46) KCNH2EGLN1OPRK1OPRM1OPRD1
SCHEMBL29588998 1.00 KCNH2 (0.46) KCNH2EGLN1OPRK1OPRM1OPRD1
Hydrochloric Acid SCHEMBL7980093 0.98 KCNH2 (0.45) KCNH2EGLN1OPRK1OPRM1OPRD1
SCHEMBL546303 0.93 EGLN1 (0.46) KCNH2EGLN1OPRK1OPRM1OPRD1
SCHEMBL7943555 0.93 EGLN1 (0.46) KCNH2EGLN1OPRK1OPRM1OPRD1
Hydrochloric Acid SCHEMBL3998414 0.92 EGLN1 (0.44) KCNH2EGLN1OPRK1OPRM1OPRD1
SCHEMBL20369603 0.85 SCN3A (0.48) KCNH2OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025100520-A1 PEPTIDE, PEPTIDE COMPLEX, PHARMACEUTICAL COMPOSITION, COMPOSITION FOR CELL CULTURE, AND COMPOSITION FOR MEDICAL USE, DIAGNOSTIC USE, OR RESEARCH USE ペプチドリーム株式会社 2025-05-15 WO claimed
US-12559486-B2 Tau-protein targeting compounds and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-24 US disclosed
WO-2025100520-A1 PEPTIDE, PEPTIDE COMPLEX, PHARMACEUTICAL COMPOSITION, COMPOSITION FOR CELL CULTURE, AND COMPOSITION FOR MEDICAL USE, DIAGNOSTIC USE, OR RESEARCH USE ペプチドリーム株式会社 2025-05-15 WO disclosed
US-20240217962-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2024-07-04 US disclosed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 US disclosed
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 US disclosed
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 US disclosed
EP-1268525-A2 MACROCYCLIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS COMPRISING N-CYCLIC P2 MOIETIES SCHERING CORPORATION (US) 2003-01-02 EP disclosed
US-6486174-B2 TREATMENT OF TUMOR GROWTH, METASTASIS, RESTENOSIS, OSTEOPOROSIS, INFLAMMATION, MACULAR DEGENERATION, DIABETIC RETINOPATHY, RHEUMATOID ARTHRITIS, SICKLE CELL ANEMIA, NERVE SYSTEM DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-26 US disclosed
US-20020107181-A1 Macrocyclic NS3-serine protease inhibitors of hepatitis C virus comprising N-cyclic P2 moieties SCHERING CORPORATION 2002-08-08 US disclosed
US-20020061885-A1 Tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidines as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-05-23 US disclosed
US-20020037897-A1 Tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidines as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US disclosed
WO-2002012193-A1 TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID ALKOXYGUANIDINES AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-02-14 WO disclosed
US-6323215-B1 TREAT AND PREVENT DISORDERS CHARACTERIZED BY NEURONAL DAMAGE SUCH AS PARKINSON'S DISEASE, ALZHEIMER'S DISEASE, STROKE, MULTIPLE SCLEROSIS, AMYOTROPHIC LATERAL SCLEROSIS, DIABETIC NEUROPATHY AND BELL'S PALSY. ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-27 US disclosed
WO-2001077113-A2 MACROCYCLIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS COMPRISING N-CYCLIC P2 MOIETIES SCHERING CORPORATION (US) 2001-10-18 WO disclosed
WO-2001004090-A2 NEUROTROPHIC TETRAHYDROISOQUINOLINES AND TETRAHYDROTHIENOPYRIDINES, AND RELATED COMPOSITIONS AND METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-18 WO disclosed
WO-1998016526-A1 TETRAHYDRO-6H-PYRAZINO[1,2-B]ISOQUINOLINE 1,4-DIONES AS APOPROTEIN B-100 INHIBITORS GLAXO GROUP LIMITED (GB) 1998-04-23 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 (8 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-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 KCNH2 1749/4885EGLN1 816/4885OPRK1 85/4885
US-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN KCNH2 4870/4885EGLN1 1697/4885OPRK1 3675/4885
US-20020037897-A1 Tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidines as integrin antagonists ADGRE5, ITGAL, VCAM1 KCNH2 508/4885EGLN1 4024/4885OPRK1 201/4885
US-20020061885-A1 Tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidines as integrin antagonists ITGAL, ITGAV, ITGB3 KCNH2 167/4885EGLN1 4050/4885OPRK1 29/4885
US-20240217962-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE VHL, CRBN, MAPT KCNH2 4869/4885EGLN1 1586/4885OPRK1 3614/4885
US-12559486-B2 Tau-protein targeting compounds and associated methods of use UBQLN2, UBQLN1, CRBN KCNH2 4049/4885EGLN1 1934/4885OPRK1 3058/4885
US-20020107181-A1 Macrocyclic NS3-serine protease inhibitors of hepatitis C virus comprising N-cyclic P2 moieties HPN, TMPRSS15, HAVCR2 KCNH2 4082/4885EGLN1 3655/4885OPRK1 2742/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S KCNH2 816/4885EGLN1 4475/4885OPRK1 1992/4885

“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.