SCHEMBL953145

SCHEMBL953145

CC(C#N)c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
ALDH1A1 P00352 3/20 0.39
BCAT1 P54687 1/20 0.33
BCHE P06276 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ANPEP P15144 1/20 0.32
DPP4 P27487 1/20 0.32
TSHR P16473 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
HPGD P15428 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL2339911 0.83 ALDH1A1 (0.38) CES2CES1ALDH1A1CYP11B1CYP11B2
SCHEMBL10079576 0.82 CES2 (0.41) CES2CES1ALDH1A1BCHEANPEP
SCHEMBL10702320 0.81 CYP3A4 (0.32) ALDH1A1ANPEPDPP4TSHRCYP3A4
SCHEMBL27236092 0.81 CFD (0.44) ALDH1A1CYP11B1LMNACYP1A2CYP3A4
SCHEMBL29095954 0.78 CES2 (0.41) CES2CES1ALDH1A1BCAT1BCHE
SCHEMBL11158144 0.77 TDP1 (0.36) ALDH1A1CYP11B1CYP11B2HPGDGAA
SCHEMBL954647 0.77 ALDH1A1 (0.39) CES2CES1ALDH1A1CYP11B1CYP11B2
SCHEMBL25020188 0.77 P2RX7 (0.36)
SCHEMBL420964 0.76 GABRA1 (0.48) CES2CES1BCHEANPEPDPP4
SCHEMBL6549654 0.76 CES2 (0.40) CES2CES1ALDH1A1BCAT1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637461-B2 Compounds for the activation of AMPK PFIZER INC. (US) 2026-05-26 US disclosed
US-20240182468-A1 COMPOUNDS FOR THE ACTIVATION OF AMPK PFIZER (US) 2024-06-06 US disclosed
WO-2024084390-A1 COMPOUNDS FOR THE ACTIVATION OF AMPK PFIZER INC. (US) 2024-04-25 WO disclosed
WO-2024084390-A1 COMPOUNDS FOR THE ACTIVATION OF AMPK PFIZER INC. (US) 2024-04-25 WO 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
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-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
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
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
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 (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-20240182468-A1 COMPOUNDS FOR THE ACTIVATION OF AMPK PRKAG1, PRKAG2, PRKAB1 CES2 3030/4885CES1 2091/4885ALDH1A1 1316/4885
US-12637461-B2 Compounds for the activation of AMPK PRKAG1, PRKAB1, PRKAA1 CES2 1535/4885CES1 545/4885ALDH1A1 1593/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B CES2 455/4885CES1 532/4885ALDH1A1 412/4885

“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.