SCHEMBL26192302

SCHEMBL26192302

COC(=O)c1nc(CCCCCN2CCN(c3ccccn3)CC2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.57
HTR2A P28223 5/20 0.57
DRD3 P35462 4/20 0.57
DRD2 P14416 3/20 0.57
HTR7 P34969 3/20 0.57
HTR2C P28335 2/20 0.57
MAOB P27338 4/20 0.55
HRH3 Q9Y5N1 4/20 0.53
KCNH2 Q12809 1/20 0.50
DRD4 P21917 2/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
HRH1 P35367 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL30503278 1.00 HTR1A (0.57) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL24228045 0.99 HTR1A (0.58) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL30503247 0.99 HTR1A (0.58) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL26192298 0.90 HTR1A (0.58) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL30503331 0.89 MAOB (0.53) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL24227991 0.89 MAOB (0.53) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL30503309 0.88 MAOB (0.52) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL24228066 0.88 MAOB (0.52) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL24227986 0.86 HTR2A (0.52) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL30503264 0.86 HTR2A (0.52) HTR1AHTR2ADRD3DRD2HTR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 US disclosed
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 US disclosed
CN-116472267-A Butyrylcholinesterase reactivating agent 法兰西国由中央军队卫生服务局代表 2023-07-21 CN 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 (1 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-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS BCHE, ACHE, CHAT HTR1A 2783/4885HTR2A 3036/4885DRD3 1661/4885

“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.