SCHEMBL958812

SCHEMBL958812

c1cc(CC2=NCCN2)c2ccoc2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.61
MAPK1 P28482 2/20 0.61
LMNA P02545 2/20 0.61
ADRA2A P08913 2/20 0.61
CYP2D6 P10635 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
ADRA1A P35348 2/20 0.61
HTR1A P08908 1/20 0.61
MAPT P10636 1/20 0.61
OPRM1 P35372 1/20 0.61
NISCH Q9Y2I1 1/20 0.61
HTR1D P28221 3/20 0.47
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
EED O75530 1/20 0.45
HTR1B P28222 2/20 0.43

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 SCHEMBL956800 0.99 TAAR1 (0.62) TAAR1MAPK1LMNAADRA2ACYP2D6
SCHEMBL954807 0.81 TAAR1 (0.58) TAAR1MAPK1LMNAADRA2ACYP2D6
SCHEMBL26078365 0.81 HTR1D (0.56) TAAR1MAPK1LMNAADRA2ACYP2D6
SCHEMBL26078363 0.81 TAAR1 (0.45) TAAR1MAPK1LMNAADRA2ACYP2D6
Hydrochloric Acid SCHEMBL955886 0.80 TAAR1 (0.59) TAAR1MAPK1LMNAADRA2ACYP2D6
SCHEMBL954369 0.78 HTR1D (0.43) TAAR1MAPK1LMNAADRA2ACYP2D6
SCHEMBL954696 0.77 TAAR1 (0.61) TAAR1MAPK1LMNAADRA2ACYP2D6
Hydrochloric Acid SCHEMBL955416 0.77 TAAR1 (0.43) TAAR1MAPK1LMNAADRA2ACYP2D6
Naphazoline SCHEMBL29369882 0.76 TAAR1 (1.00) TAAR1MAPK1LMNAADRA2ACYP2D6
Naphazoline SCHEMBL34532 0.76 TAAR1 (1.00) TAAR1MAPK1LMNAADRA2ACYP2D6

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 10 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
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 117/4885MAPK1 3544/4885LMNA 2048/4885

“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.