SCHEMBL398581

SCHEMBL398581

COc1cc(OC)c(OC)cc1C[C@@H](C)N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 1.00
TAAR1 Q96RJ0 3/20 0.79
HTR1A P08908 2/20 0.73
HTR2C P28335 2/20 0.73
HTR2B P41595 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
TSHR P16473 1/20 0.73
NFKB1 P19838 1/20 0.73

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
SCHEMBL29425260 1.00 HTR2A (1.00) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL398580 1.00 HTR2A (1.00) HTR2ATAAR1HTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL30341559 0.98 HTR2A (0.96) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL5308098 0.90 HTR2A (0.81) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL5308097 0.90 HTR2A (0.81) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL2556573 0.89 HTR2A (0.80) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL5302329 0.89 HTR2A (0.80) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL2556577 0.89 HTR2A (0.80) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL29633045 0.89 HTR2A (0.80) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL5302319 0.89 HTR2A (0.80) HTR2ATAAR1HTR1AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021101926-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH STAMETS PAUL EDWARD (US) 2021-05-27 WO claimed
US-20210145851-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS, LLC 2021-05-20 US claimed
US-20210069170-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS, LLC 2021-03-11 US claimed
EP-2835648-B1 Immunoassay for Phenethylamines of the 2C and DO Sub-Families RANDOX LABORATORIES LTD (GB) 2018-12-12 EP claimed
EP-2835648-A1 Immunoassay for Phenethylamines of the 2C and DO Sub-Families Randox Laboratories Ltd. (GB) 2015-02-11 EP claimed
US-20150038366-A1 Immunoassay for Phenethylamines of the 2C and DO Sub-Families NORTHERN BANK LIMITED (IE) 2015-02-05 US claimed
US-8163701-B2 Prodrugs of active agents SIGNATURE THERAPEUTICS, INC. (US) 2012-04-24 US claimed
US-8101661-B2 Polar hydrophilic prodrugs and non-standard amino acid conjugates of amphetamine and other stimulants and processes for making and using the same KEMPHARM, INC. (US) 2012-01-24 US claimed
US-20100292336-A1 Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-18 US claimed
EP-1928881-A2 PRODRUGS OF ACTIVE AGENTS Pharmacofore, Inc. (US) 2008-06-11 EP claimed
US-20070123468-A1 Prodrugs of active agents PHARMACOFORE, INC. 2007-05-31 US claimed
WO-2007022535-A2 PRODRUGS OF ACTIVE AGENTS PHARMACOFORE, INC. (US) 2007-02-22 WO claimed
US-20260108544-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS LLC (US) 2026-04-23 US disclosed
US-12599578-B2 Compositions comprising enzyme-cleavable prodrugs and controlled release nafamostat and methods of use thereof Ensysce Biosciences Inc. (US) 2026-04-14 US disclosed
EP-4704806-A1 INJECTABLE PHARMACEUTICAL FORMULATIONS Cybin IRL Limited (IE) 2026-03-11 EP disclosed
US-20260048048-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS LLC (US) 2026-02-19 US disclosed
US-5470997-A Amphetamine derivatives and protein and polypeptide amphetamine derivative conjugates and labels BIOSITE DIAGNOSTICS INCORPORATED (US) 1995-11-28 US disclosed
EP-0634999-A4 NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS. 1995-02-01 EP disclosed
EP-0634999-A1 NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INC. (US) 1995-01-25 EP disclosed
WO-1993020048-A1 NOVEL AMPHETAMINE DERIVATIVES AND PROTEIN AND POLYPEPTIDE AMPHETAMINE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INCORPORATED (US) 1993-10-14 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-20210145851-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF HTR2A 11/4885TAAR1 128/4885HTR1A 13/4885
US-20260048048-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF HTR2A 7/4885TAAR1 181/4885HTR1A 12/4885
US-20100292336-A1 Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC18A2, SLC6A19, SLC6A2 HTR2A 83/4885TAAR1 72/4885HTR1A 68/4885
US-20150038366-A1 Immunoassay for Phenethylamines of the 2C and DO Sub-Families PNMT, DDT, COMT HTR2A 71/4885TAAR1 514/4885HTR1A 210/4885
US-12599578-B2 Compositions comprising enzyme-cleavable prodrugs and controlled release nafamostat and methods of use thereof OPRK1, OPRL1, OPRM1 HTR2A 2491/4885TAAR1 543/4885HTR1A 1360/4885
US-20210069170-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF HTR2A 11/4885TAAR1 128/4885HTR1A 13/4885
US-20260108544-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF HTR2A 9/4885TAAR1 121/4885HTR1A 11/4885
US-20070123468-A1 Prodrugs of active agents PAICS, AADAC, NQO1 HTR2A 2342/4885TAAR1 3066/4885HTR1A 2448/4885

“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.