SCHEMBL954150

SCHEMBL954150

CCC(C#N)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MC4R P32245 3/20 0.35
TSHR P16473 1/20 0.34
CYP3A4 P08684 6/20 0.34
CYP2D6 P10635 4/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
KCNH2 Q12809 4/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29061986 1.00 CCR1 (0.39) CCR1ALDH1A1MEN1KMT2AGAA
SCHEMBL953306 0.85 CES2 (0.37) CCR1ALDH1A1MEN1KMT2AGAA
SCHEMBL23356101 0.81 CYP3A4 (0.37) ALDH1A1MEN1KMT2AGAAMC4R
SCHEMBL8646951 0.78 TSHR (0.35) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL953265 0.78 CES2 (0.37) KMT2A
SCHEMBL1482971 0.78 IDO1 (0.41) CCR1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2554095 0.77 TSHR (0.57) CCR1ALDH1A1MEN1KMT2AGAA
SCHEMBL5860173 0.77 ALDH1A1 (0.42) CCR1ALDH1A1GAATDP1MC4R
SCHEMBL14098356 0.77 CCR1 (0.39) CCR1ALDH1A1TSHRCYP3A4IDO1
SCHEMBL622659 0.77 ALDH1A1 (0.38) ALDH1A1GAATDP1TSHRCYP3A4

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 CCR1 4732/4885ALDH1A1 412/4885MEN1 569/4885

“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.