SCHEMBL5043671

SCHEMBL5043671

CCCOc1ccc(C#Cc2ccc3c(c2)OCC(C)(C)CO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.50
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
MAOB P27338 6/20 0.40
MAOA P21397 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5043403 0.89 ACACB (0.52) ACACBRAB9AMEN1KMT2ANPC1
SCHEMBL5048237 0.88 ACACB (0.49) ACACBRAB9AMEN1KMT2AMAOB
Benzothiophene SCHEMBL20531230 0.85 ACACB (0.40) ACACBRAB9AMEN1KMT2ANPC1
SCHEMBL5043437 0.83 ACACB (0.51) ACACBRAB9AMEN1KMT2ANPC1
SCHEMBL5043428 0.83 ACACB (0.49) ACACBRAB9ANPC1MAOBMAOA
SCHEMBL5046828 0.82 ACACB (0.48) ACACB
SCHEMBL5043418 0.81 ACACB (0.47) ACACBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5046911 0.78 ACACB (0.53) ACACB
SCHEMBL5046813 0.78 ACACB (0.55) ACACBRAB9AKMT2ANPC1KDM4E
SCHEMBL5046845 0.77 ACACB (0.56) ACACBRAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459480-B2 Benzodioxepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-02 US claimed
EP-1682528-B1 BENZO [b][1,4] DIOXEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-09-12 EP claimed
US-20050113374-A1 Benzodioxepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-05-26 US claimed
US-20250367263-A9 Therapeutic Regimens and Methods for Treatment of Cardiovascular Risk Factors using a GLP-1R and GCGR Agonist SPITFIRE PHARMA LLC (US) 2025-12-04 US disclosed
US-20250288650-A1 Therapeutic Regimens and Methods for Reducing Body Weight and/or Serum Lipids using a GLP-1R and GCGR Agonist SPITFIRE PHARMA LLC (US) 2025-09-18 US disclosed
US-20250281450-A1 PEPTIDE PHARMACEUTICALS FOR TREATMENT OF NASH AND OTHER DISORDERS MEDERIS DIABETES LLC (US) 2025-09-11 US disclosed
EP-4611792-A1 THERAPEUTIC REGIMENS AND METHODS FOR TREATMENT OF CARDIOVASCULAR RISK FACTORS USING A GLP-1R AND GCGR AGONIST Spitfire Pharma LLC (US) 2025-09-10 EP disclosed
US-20250262280-A1 GLP-1R and GCGR Agonists, Formulations, and Methods of Use SPITFIRE PHARMA LLC (US) 2025-08-21 US disclosed
EP-4587045-A2 THERAPEUTIC REGIMENS AND METHODS FOR REDUCING BODY WEIGHT IN A SUBJECT WITH FATTY LIVER DISEASE USING A GLP-1R AND GCGR AGONIST Spitfire Pharma LLC (US) 2025-07-23 EP disclosed
WO-2025129168-A1 TRIAZOLONE INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed
US-20250134963-A1 Therapeutic Regimens and Methods for Lowering Blood Glucose and/or Body Weight using GLP-1R and GCGR Balanced Agonists SPITFIRE PHARMA LLC (US) 2025-05-01 US disclosed
US-20200069770-A1 TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND OTHER EYE DISEASES WITH APOLIPOPROTEIN MIMETICS MACREGEN, INC. (US) 2020-03-05 US disclosed
US-10426817-B2 Treatment of age-related macular degeneration and other eye diseases with apolipoprotein mimetics MACREGEN, INC. (US) 2019-10-01 US disclosed
US-20190015521-A1 TOPICAL DELIVERY OF THERAPEUTIC AGENTS USING CELL-PENETRATING PEPTIDES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND OTHER EYE DISEASES MACREGEN, INC. 2019-01-17 US disclosed
WO-2018236814-A2 NICOTINAMIDE RIBOSIDE DERIVATIVES AND THEIR USES GANAPATI GANGADHARA (US) 2018-12-27 WO disclosed
US-20180362570-A1 NICOTINAMIDE RIBOSIDE DERIVATIVES AND THEIR USES MITOPOWER LLC 2018-12-20 US disclosed
WO-2018161035-A1 TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND OTHER EYE DISEASES WITH ONE OR MORE THERAPEUTIC AGENTS MACREGEN, INC. (US) 2018-09-07 WO disclosed
US-20180207233-A1 TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND OTHER EYE DISEASES WITH APOLIPOPROTEIN MIMETICS MACREGEN, INC. 2018-07-26 US disclosed
US-7459480-B2 Benzodioxepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-12-02 US disclosed
US-20050113374-A1 Benzodioxepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-05-26 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 (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-20250288650-A1 Therapeutic Regimens and Methods for Reducing Body Weight and/or Serum Lipids using a GLP-1R and GCGR Agonist GLP1R, GCGR, GIPR ACACB 763/4885RAB9A 1732/4885MEN1 1359/4885
US-20250367263-A9 Therapeutic Regimens and Methods for Treatment of Cardiovascular Risk Factors using a GLP-1R and GCGR Agonist GLP1R, GCGR, GIPR ACACB 1264/4885RAB9A 1322/4885MEN1 1818/4885
US-20250134963-A1 Therapeutic Regimens and Methods for Lowering Blood Glucose and/or Body Weight using GLP-1R and GCGR Balanced Agonists GLP1R, GCGR, GIPR ACACB 2195/4885RAB9A 1438/4885MEN1 1493/4885
US-20180362570-A1 NICOTINAMIDE RIBOSIDE DERIVATIVES AND THEIR USES NME4, NADK, NQO1 ACACB 719/4885RAB9A 734/4885MEN1 3915/4885
US-20190015521-A1 TOPICAL DELIVERY OF THERAPEUTIC AGENTS USING CELL-PENETRATING PEPTIDES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND OTHER EYE DISEASES NPC1L1, STARD3, CETP ACACB 471/4885RAB9A 545/4885MEN1 3419/4885
US-20250281450-A1 PEPTIDE PHARMACEUTICALS FOR TREATMENT OF NASH AND OTHER DISORDERS GLP1R, IAPP, GPR119 ACACB 515/4885RAB9A 2361/4885MEN1 1281/4885
US-20250262280-A1 GLP-1R and GCGR Agonists, Formulations, and Methods of Use GLP1R, GCGR, GPR119 ACACB 1863/4885RAB9A 1501/4885MEN1 2065/4885
US-20050113374-A1 Benzodioxepine derivatives BBOX1, ACOX1, ACOX3 ACACB 5/4885RAB9A 3010/4885MEN1 3906/4885

“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.