SCHEMBL489968

SCHEMBL489968

c1ccc2c(c1)COc1ccccc1C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
OXTR P30559 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.42
HSD17B3 P37058 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.40
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
HRH1 P35367 3/20 0.38

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
SCHEMBL10170816 0.84 OXTR (0.52) MAOAMAOBOXTRABCG2HSD17B3
SCHEMBL346944 0.84
SCHEMBL30349594 0.84
SCHEMBL7466845 0.82 ABCG2 (0.65) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL28675786 0.81
Ammonia Solution, Strong SCHEMBL8863598 0.81
Bromide SCHEMBL22498666 0.81
SCHEMBL10253863 0.80 OXTR (0.45) MAOAMAOBOXTRABCG2HSD17B3
Hydrochloric Acid SCHEMBL8131892 0.79 OXTR (0.48) MAOAMAOBOXTRABCG2HSD17B3
SCHEMBL31427012 0.79 MAOA (0.94) MAOAMAOBOXTRABCG2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
EP-0069810-B1 NOVEL DIBENZOXEPINS, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THE USE OF DIBENZOXEPINS IN THE TREATMENT OF ALLERGIC CONDITIONS MERCK & CO. INC. (US) 1986-12-03 EP claimed
EP-0069810-A1 Novel dibenzoxepins, their preparation, compositions containing them and the use of dibenzoxepins in the treatment of allergic conditions MERCK & CO. INC. (US) 1983-01-19 EP claimed
US-4282365-A Dibenz[b,e]oxepin compounds MERCK & CO., INC. (US) 1981-08-04 US claimed
US-20250084091-A1 INHIBITORS OF SARS-COV-2 TEXAS A & M UNIV SYS (US) 2025-03-13 US disclosed
US-20250084091-A1 INHIBITORS OF SARS-COV-2 TEXAS A & M UNIV SYS (US) 2025-03-13 US disclosed
CN-116239562-B Method for synthesizing doxepin hydrochloride by taking benzofuranone as raw material 江苏师范大学 2024-12-31 CN disclosed
US-20240301003-A1 PLASMIN-RESISTANT PEPTIDES FOR IMPROVED THERAPEUTIC INDEX NONO INC. (CA) 2024-09-12 US disclosed
EP-4333821-A1 INHIBITORS OF SARS-COV-2 The Texas A&M University System (US) 2024-03-13 EP disclosed
EP-4333821-A1 INHIBITORS OF SARS-COV-2 The Texas A&M University System (US) 2024-03-13 EP disclosed
EP-0069810-A1 Novel dibenzoxepins, their preparation, compositions containing them and the use of dibenzoxepins in the treatment of allergic conditions MERCK & CO. INC. (US) 1983-01-19 EP disclosed
EP-0069810-A1 Novel dibenzoxepins, their preparation, compositions containing them and the use of dibenzoxepins in the treatment of allergic conditions MERCK & CO. INC. (US) 1983-01-19 EP disclosed
EP-0038564-A1 Dibenz (b,e) oxepin derivatives and pharmaceutical compositions comprising them KYOWA HAKKO KOGYO CO., LTD (JP) 1981-10-28 EP disclosed
US-4282365-A Dibenz[b,e]oxepin compounds MERCK & CO., INC. (US) 1981-08-04 US disclosed
US-4169205-A BACTERICIDES; FUNGICIDES E. R. SQUIBB & SONS, INC. (US) 1979-09-25 US disclosed
US-4169205-A BACTERICIDES; FUNGICIDES E. R. SQUIBB & SONS, INC. (US) 1979-09-25 US disclosed
US-4169205-A BACTERICIDES; FUNGICIDES E. R. SQUIBB & SONS, INC. (US) 1979-09-25 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 (3 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-20250084091-A1 INHIBITORS OF SARS-COV-2 ACE2, ACE, TMPRSS2 MAOA 1116/4885MAOB 1253/4885OXTR 2584/4885
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 MAOA 4482/4885MAOB 4509/4885OXTR 752/4885
US-20240301003-A1 PLASMIN-RESISTANT PEPTIDES FOR IMPROVED THERAPEUTIC INDEX DAO, DNPEP, DDO MAOA 365/4885MAOB 263/4885OXTR 553/4885

“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.