SCHEMBL954807

SCHEMBL954807

c1ccc2c(CC3=NCCN3)coc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.58
CYP2D6 P10635 4/20 0.58
NISCH Q9Y2I1 3/20 0.58
MAPK1 P28482 2/20 0.58
LMNA P02545 2/20 0.58
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
ADRA1A P35348 2/20 0.58
HTR1A P08908 1/20 0.58
MAPT P10636 1/20 0.58
OPRM1 P35372 1/20 0.58
CYP1A2 P05177 2/20 0.51
TSHR P16473 2/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1B P35368 1/20 0.51
NFKB1 P19838 2/20 0.47
HSD17B10 Q99714 1/20 0.47
FTO Q9C0B1 1/20 0.47
HTR1D P28221 2/20 0.44

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
Hydrochloric Acid SCHEMBL955886 0.99 TAAR1 (0.59) TAAR1CYP2D6NISCHMAPK1LMNA
SCHEMBL958812 0.81 TAAR1 (0.61) TAAR1CYP2D6NISCHMAPK1LMNA
Hydrochloric Acid SCHEMBL956800 0.80 TAAR1 (0.62) TAAR1CYP2D6NISCHMAPK1LMNA
SCHEMBL26078369 0.76 TAAR1 (0.62) TAAR1CYP2D6NISCHMAPK1LMNA
Naphazoline SCHEMBL29369882 0.74 TAAR1 (1.00) TAAR1CYP2D6NISCHMAPK1LMNA
Naphazoline SCHEMBL34532 0.74 TAAR1 (1.00) TAAR1CYP2D6NISCHMAPK1LMNA
SCHEMBL11797228 0.73 TAAR1 (0.51) TAAR1CYP2D6NISCHMAPK1LMNA
SCHEMBL954808 0.73 TAAR1 (0.58) TAAR1CYP2D6NISCHMAPK1LMNA
Naphazoline SCHEMBL12481545 0.73 TAAR1 (0.97) TAAR1CYP2D6NISCHMAPK1LMNA
Naphazoline SCHEMBL24153 0.73 TAAR1 (1.00) TAAR1CYP2D6NISCHMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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

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 TAAR1 117/4885CYP2D6 338/4885NISCH 162/4885

“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.