SCHEMBL519093

SCHEMBL519093

O=C1[N]CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
CYP2A6 P11509 1/20 0.53
MAOB P27338 1/20 0.53
NOS3 P29474 2/20 0.52
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CES1 P23141 1/20 0.48
TSHR P16473 1/20 0.46
NOS2 P35228 1/20 0.41
PDPK1 O15530 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
MIF P14174 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 1/20 0.39

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
SCHEMBL73596 0.88 CES1 (0.52) MAOACYP2A6MAOBNOS3HPGD
SCHEMBL568779 0.75 TSHR (0.71) MAOACYP2A6MAOBNOS3HPGD
SCHEMBL31430380 0.75 TSHR (0.71) MAOACYP2A6MAOBNOS3HPGD
SCHEMBL61808 0.74 MAOA (0.44) MAOACYP2A6MAOBCES1TSHR
SCHEMBL18607288 0.74 MAOA (0.91) MAOACYP2A6MAOBNOS3HPGD
SCHEMBL18716863 0.74 MAOA (0.91) MAOACYP2A6MAOBNOS3HPGD
SCHEMBL4573854 0.74 MAOA (0.91) MAOACYP2A6MAOBNOS3HPGD
SCHEMBL29766301 0.74 MAOA (0.91) MAOACYP2A6MAOBNOS3HPGD
SCHEMBL4874556 0.74 MAOA (0.91) MAOACYP2A6MAOBNOS3HPGD
SCHEMBL20445627 0.74 MAOA (0.91) MAOACYP2A6MAOBNOS3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024149992-A1 IMAGING COMPOUNDS FOR DETECTING OR IMAGING SENESCENT CELLS UNIVERSITY OF DUNDEE (GB) 2024-07-18 WO disclosed
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
US-11969473-B2 Multifunctional conjugates E.P.O.S IASIS RESEARCH AND DEVELOPMENT LIMITED (CY) 2024-04-30 US disclosed
US-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-04-30 US disclosed
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2024-04-04 US disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed
WO-2024003558-A1 PRODRUGS OF LYSYL OXIDASE INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-01-04 WO disclosed
WO-2024003557-A1 SULFOXIMINES AS INHIBITORS OF LYSYL OXIDASE THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-01-04 WO disclosed
WO-2023233148-A1 CANCER THERAPY THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL, (GB) 2023-12-07 WO disclosed
EP-4277631-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL Liverpool School of Tropical Medicine (GB) 2023-11-22 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
EP-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP disclosed
WO-2003064431-A2 AMINOPIPERIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-08-07 WO disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO disclosed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 WO disclosed
EP-0757986-B1 Arylpiperidine and arylpiperazine derivatives and drugs containing the same SUNTORY LTD (JP) 2002-06-12 EP disclosed
US-5723475-A Arylpiperidine and arylpiperazine derivatives and medicament containing the same SUNTORY LIMITED (JP) 1998-03-03 US disclosed
EP-0757986-A1 ARYLPIPERIDINE AND ARYLPIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-12 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 (5 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-11969473-B2 Multifunctional conjugates MKI67, ACP3, CD44 MAOA 4201/4885CYP2A6 2481/4885MAOB 3584/4885
US-11970469-B2 Compounds useful in the treatment of disorders associated with mutant RAS KRAS, NRAS, HRAS MAOA 4557/4885CYP2A6 2812/4885MAOB 4147/4885
US-20040198756-A1 Medicaments PIGO, PSAP, CD68 MAOA 2378/4885CYP2A6 3415/4885MAOB 3007/4885
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL AQP3, AQP1, AQP4 MAOA 1514/4885CYP2A6 500/4885MAOB 1385/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS MAOA 4578/4885CYP2A6 2702/4885MAOB 4159/4885

“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.