SCHEMBL1779534

SCHEMBL1779534

N#Cc1ccc(C2OCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2A6 P11509 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP19A1 P11511 6/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1334352 0.92 CYP2A6 (0.39) CYP11B1CYP11B2MAOAMAOBALDH1A1
SCHEMBL9778974 0.83 MAOB (0.53) MAOAMAOBKCNH2
SCHEMBL9451018 0.82 MEN1 (0.41) CYP11B1CYP11B2ALDH1A1
SCHEMBL10591118 0.80 CA2 (0.37) MAOAMAOBALDH1A1CYP2A6CA12
SCHEMBL92259 0.80 GABRP (0.38) CYP11B1CYP11B2CA12CA2CA9
SCHEMBL1780656 0.78 DRD2 (0.50) CYP11B1CYP11B2ALDH1A1CYP19A1
SCHEMBL31442 0.77 ALDH1A1 (0.39) CYP11B2ALDH1A1CYP2A6CA12CA2
SCHEMBL13014690 0.77 KCNH2 (0.44) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL9627406 0.77 CA2 (0.39) ALDH1A1CYP2A6CA12CA2CA3
SCHEMBL9906430 0.76 KCNH2 (0.46) CYP11B1CYP11B2MAOAMAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57102981-A None JP disclosed
WO-2025125811-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Ontrack Therapeutics Limited (GB) 2025-06-19 WO disclosed
EP-3541368-B1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF US HEALTH (US) 2023-07-12 EP disclosed
EP-3541368-B1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF US HEALTH (US) 2023-07-12 EP disclosed
EP-3802730-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-04-19 EP disclosed
US-11382990-B2 Imageable polymers, methods of making and methods of use thereof THE USA, AS REPRESENTED BY THE SECRETARY, DHHS (US) 2022-07-12 US disclosed
US-11382990-B2 Imageable polymers, methods of making and methods of use thereof THE USA, AS REPRESENTED BY THE SECRETARY, DHHS (US) 2022-07-12 US disclosed
EP-3529333-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3529332-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20200197540-A1 Imageable Polymers, Methods of Making and Methods of Use Thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-06-25 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO disclosed
JP-S57102981-A NEMATIC LIQUID CRYSTAL COMPOSITION SEIKO EPSON CORP 1982-06-26 JP 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 CYP11B1 1177/4885CYP11B2 1052/4885MAOA 939/4885
US-11382990-B2 Imageable polymers, methods of making and methods of use thereof PUF60, PBRM1, PCBP1 CYP11B1 4071/4885CYP11B2 4158/4885MAOA 3360/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 CYP11B1 315/4885CYP11B2 314/4885MAOA 372/4885
US-20200197540-A1 Imageable Polymers, Methods of Making and Methods of Use Thereof PUF60, PBRM1, PCBP1 CYP11B1 4071/4885CYP11B2 4158/4885MAOA 3360/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 CYP11B1 1277/4885CYP11B2 1125/4885MAOA 991/4885

“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.