SCHEMBL954835

SCHEMBL954835

CCC(O)c1cccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
ADRA2A P08913 3/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
PDE2A O00408 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.37
BCHE P06276 1/20 0.36
GLS O94925 1/20 0.36
TSHR P16473 1/20 0.35
ADRA1A P35348 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRA1B P35368 1/20 0.35
CYP3A4 P08684 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
SCHEMBL10091381 0.85 CES2 (0.45) CES2CES1ADRA2AADRA2BADRA2C
SCHEMBL20237842 0.83 PDE2A (0.53) CES2CES1PDE2ALMNATP53
SCHEMBL7983483 0.83 PDE2A (0.53) CES2CES1PDE2ALMNATP53
SCHEMBL29669152 0.83 PDE2A (0.53) CES2CES1PDE2ALMNATP53
SCHEMBL7786189 0.83 CES2 (0.44) CES2CES1ADRA2AADRA2BADRA2C
SCHEMBL1068333 0.82 ADRA2A (0.67) ADRA2AADRA2BADRA2CPDE2AADRB1
SCHEMBL8746393 0.82 CES2 (0.42) CES2CES1ADRA2AADRA2BADRA2C
SCHEMBL7153251 0.82 ADRA2C (0.53) CES2CES1ADRA2AADRA2BADRA2C
SCHEMBL15915397 0.81 CFD (0.47) ADRA2AADRA2BADRA2CPDE2AADRB1
SCHEMBL6744226 0.81 PDE2A (0.44) CES2CES1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 CES2 455/4885CES1 532/4885ADRA2A 71/4885

“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.