SCHEMBL954467

SCHEMBL954467

CCC(C#N)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
KMT2A Q03164 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 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
SCHEMBL29061977 1.00 AOC3 (0.40) AOC3KMT2AHDAC4HDAC7HDAC5
SCHEMBL28748834 0.82 SLC6A2 (0.41) AOC3KMT2AHDAC4HDAC7HDAC5
SCHEMBL4138269 0.80 ALDH1A1 (0.44) AOC3KMT2AACHEMAPT
SCHEMBL29061975 0.79 HPGD (0.44) AOC3KMT2AMAPT
SCHEMBL954629 0.79 HPGD (0.44) AOC3KMT2AMAPT
SCHEMBL3355778 0.79 CTSS (0.31) KMT2AHDAC4
SCHEMBL953215 0.79 IDO1 (0.38) IDO1TDO2SLC6A2SLC6A4MAPT
SCHEMBL958288 0.78 PNMT (0.47) KMT2AIDO1TDO2CES2SLC6A2
SCHEMBL27938930 0.78 CTSB (0.38) AOC3KMT2AACHESLC6A2SLC6A4
SCHEMBL953000 0.77 KMT2A (0.46) AOC3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655482-B Preparation method of gamma-aminobutyric acid derivatives 贵州大学 2024-06-04 CN disclosed
CN-116655482-A Preparation method of gamma-aminobutyric acid derivatives 贵州大学 2023-08-29 CN disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO 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-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B AOC3 2269/4885KMT2A 805/4885HDAC4 147/4885

“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.