SCHEMBL2208450

SCHEMBL2208450

COc1ccc(N2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.68
MAPT P10636 8/20 0.67
RAB9A P51151 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
ADRB1 P08588 1/20 0.63
HTR3A P46098 1/20 0.63
HTR3D Q70Z44 1/20 0.63
HTR3C Q8WXA8 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
KMT2A Q03164 3/20 0.63
PRKDC P78527 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56
DRD2 P14416 1/20 0.56
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55

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
SCHEMBL4349056 0.98 AKR1C3 (0.66) AKR1C3MAPTRAB9AL3MBTL1HTR3E
SCHEMBL18415522 0.94 AKR1C3 (0.62) AKR1C3MAPTRAB9AL3MBTL1HTR3E
Nitrogen SCHEMBL7794313 0.94 AKR1C3 (0.62) AKR1C3MAPTRAB9AL3MBTL1HTR3E
SCHEMBL10680649 0.90 AKR1C3 (0.58) AKR1C3MAPTRAB9AL3MBTL1HTR3E
SCHEMBL5793905 0.89 RAB9A (0.69) AKR1C3MAPTRAB9AL3MBTL1HTR3E
SCHEMBL10770587 0.89 MAPT (0.66) AKR1C3MAPTRAB9AL3MBTL1HTR3E
SCHEMBL19831125 0.89 GSK3B (0.65) AKR1C3MAPTRAB9AL3MBTL1HTR3E
SCHEMBL6740893 0.88 MAPT (0.86) AKR1C3MAPTRAB9AL3MBTL1KMT2A
SCHEMBL29656856 0.87 HTR3E (0.73) AKR1C3MAPTRAB9AL3MBTL1HTR3E
SCHEMBL28599511 0.87 HTR3E (0.73) AKR1C3MAPTRAB9AL3MBTL1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383894-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME UNIV RUTGERS (US) 2024-11-21 US disclosed
EP-4452488-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME Rutgers, The State University Of New Jersey (US) 2024-10-30 EP disclosed
US-20240326030-A1 PALLADIUM COMPLEX AND CATALYST EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2024-10-03 US disclosed
EP-3845546-B1 COMPLEXES JOHNSON MATTHEY PLC (GB) 2024-06-19 EP disclosed
EP-3842421-B1 COMPLEXES JOHNSON MATTHEY PLC (GB) 2024-06-12 EP disclosed
EP-4277745-A1 PALLADIUM COMPLEX AND CATALYST EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME UVIC Industry Partnerships Inc. (CA) 2023-11-22 EP disclosed
WO-2023122078-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-06-29 WO disclosed
US-11649258-B2 Complexes JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2023-05-16 US disclosed
US-11649258-B2 Complexes JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2023-05-16 US disclosed
US-11649258-B2 Complexes JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2023-05-16 US disclosed
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
CN-1416954-A Phosphinidene amide and transition metal complex catalyst and its synthesis process and application in C-C and C-N bond forming reaction SHANGHAI INST ORGANIC CHEM (CN) 2003-05-14 CN disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
US-4626591-A Trans-dl-1-alkyl-6-alkoxy-1,2,3,4,4a,5,8,8a octa-hydroquinolines ELI LILLY AND COMPANY (US) 1986-12-02 US disclosed
US-4540787-A Method of preparing trans-D1-1-alkyl-6-oxodecahydroquinolines ELI LILLY AND COMPANY (US) 1985-09-10 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-20240326030-A1 PALLADIUM COMPLEX AND CATALYST EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME PDCD6IP, PDPK1, PDCD10 AKR1C3 4001/4885MAPT 4667/4885RAB9A 3105/4885
US-20240383894-A1 HETEROBIDENTATE IMIDAZO[1,5-A]PYRIDINE AND IMIDAZO[1,5-A]QUINOLINE N-HETEROCYCLIC CARBENE (NHC) LIGANDS, CATALYST COMPLEXES THEREOF, AND METHODS USING SAME NDC1, NUDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 AKR1C3 3932/4885MAPT 4268/4885RAB9A 1451/4885
US-11649258-B2 Complexes AP2M1, AP1M1, INF2 AKR1C3 1799/4885MAPT 4216/4885RAB9A 1406/4885

“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.