SCHEMBL953114

SCHEMBL953114

N#CC(Sc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TRPA1 O75762 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRNA7 P36544 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
TSHR P16473 2/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
NOS2 P35228 1/20 0.37
L3MBTL1 Q9Y468 2/20 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
SCHEMBL28535356 0.82 MAPT (0.39) MAPTALDH1A1TRPA1CYP2C9CYP2C19
SCHEMBL11754173 0.79 ALDH1A1 (0.47) MAPTALDH1A1TRPA1TSHRL3MBTL1
SCHEMBL10737879 0.73 CYP2C9 (0.47) MAPTTRPA1CYP2C9CYP2C19HSD17B10
SCHEMBL28515424 0.72 TSHR (0.50) MAPTALDH1A1TRPA1TSHRL3MBTL1
SCHEMBL10739621 0.71 MAOA (0.45) MAPTALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL5164828 0.71 L3MBTL1 (0.56) MAPTALDH1A1TRPA1CYP2C9CYP2C19
SCHEMBL12436757 0.71 MAOA (0.45) MAPTALDH1A1CYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL27736240 0.69 L3MBTL1 (0.54) MAPTALDH1A1TRPA1CYP2C9CYP2C19
SCHEMBL9493266 0.69 TSHR (0.46) MAPTALDH1A1TRPA1HSD17B10TSHR
SCHEMBL28929083 0.69 TSHR (0.46) MAPTALDH1A1TRPA1TSHRL3MBTL1

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 MAPT 41/4885ALDH1A1 412/4885TRPA1 662/4885

“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.