SCHEMBL2235530

SCHEMBL2235530

CC(OC(=O)Oc1ccc([N+](=O)[O-])cc1)OC(=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
GAA P10253 1/20 0.50
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.43
MGLL Q99685 2/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
ELANE P08246 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 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
SCHEMBL15459741 0.88 HTR2A (0.53) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL2233659 0.87 HTR2A (0.52) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL2236491 0.86 HTR2A (0.52) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL7989561 0.85 HTR2A (0.53) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL2232343 0.84 HTR2A (0.48) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL1036489 0.84 HTR2A (0.52) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL23203128 0.83 HTR2A (0.49) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL2235137 0.83 BCL9 (0.56) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL8605685 0.83 HTR2A (0.49) HTR2AGAABCL9CTNNB1SMN1; SMN2
SCHEMBL23202970 0.83 HTR2A (0.49) HTR2AGAABCL9CTNNB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160665-A1 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-24 US claimed
WO-2010063002-A2 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-03 WO claimed
US-20260138964-A1 PREPARATION OF PHENETHYLAMINES AND CATHINONES AND STEREOISOMERS THEREOF AND PRECURSORS THEREOF TRANSCEND THERAPEUTICS, INC. (US) 2026-05-21 US disclosed
US-12473295-B2 Substituted straight chain spiro derivatives JANSSEN PHARMACEUTICA NV (BE) 2025-11-18 US disclosed
EP-4635958-A1 PYRIMIDINE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2025-10-22 EP disclosed
US-20250270242-A1 PHENETHYLAMINES AND CATHINONES PRECURSORS TRANSCEND THERAPEUTICS, INC. (US) 2025-08-28 US disclosed
EP-4605385-A1 PREPARATION OF PHENETHYLAMINES AND CATHINONES AND STEREOISOMERS THEREOF AND PRECURSORS THEREOF Transcend Therapeutics, Inc. (US) 2025-08-27 EP disclosed
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
EP-4573084-A1 PHENETHYLAMINES AND CATHINONES PRECURSORS Transcend Therapeutics, Inc. (US) 2025-06-25 EP disclosed
US-20250197398-A1 Varenicline Related Compounds and Methods for Treating Diseases and Conditions Including Tobacco Use Disorder SPACERX LLC 2025-06-19 US disclosed
WO-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP disclosed
US-20100160665-A1 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-24 US disclosed
US-20100160665-A1 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-24 US disclosed
US-20100160665-A1 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-24 US disclosed
WO-2010063002-A2 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-03 WO disclosed
WO-2010063002-A2 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-03 WO disclosed
US-5789595-A ANTICOAGULANTS TERUMO KABUSHIKI KAISHA (JP) 1998-08-04 US disclosed
EP-0790247-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1997-08-20 EP 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 (7 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-20250270242-A1 PHENETHYLAMINES AND CATHINONES PRECURSORS PNMT, COMT, SLC18A1 HTR2A 19/4885GAA 816/4885BCL9 1460/4885
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 HTR2A 4341/4885GAA 1535/4885BCL9 2611/4885
US-20100160665-A1 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL ADH1C, CNR1, GABRG1 HTR2A 3951/4885GAA 3240/4885BCL9 2017/4885
US-12473295-B2 Substituted straight chain spiro derivatives MLLT1, MEN1, MLLT3 HTR2A 4666/4885GAA 4450/4885BCL9 40/4885
US-20260138964-A1 PREPARATION OF PHENETHYLAMINES AND CATHINONES AND STEREOISOMERS THEREOF AND PRECURSORS THEREOF DMPK, CHKB, TTK HTR2A 948/4885GAA 2742/4885BCL9 1377/4885
US-20250197398-A1 Varenicline Related Compounds and Methods for Treating Diseases and Conditions Including Tobacco Use Disorder COMT, CACNA1S, SMOX HTR2A 272/4885GAA 386/4885BCL9 2415/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HTR2A 3849/4885GAA 2063/4885BCL9 2191/4885

“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.