SCHEMBL954827

SCHEMBL954827

Clc1ccccc1CC1=NCCN1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.68
ADRA2B P18089 3/20 0.62
ADRA2C P18825 3/20 0.62
LMNA P02545 3/20 0.62
CYP2D6 P10635 3/20 0.62
ADRA2A P08913 3/20 0.62
MAPK1 P28482 2/20 0.62
ADRA1A P35348 2/20 0.62
HTR1A P08908 1/20 0.62
MAPT P10636 1/20 0.62
OPRM1 P35372 1/20 0.62
NISCH Q9Y2I1 1/20 0.62
CYP1A2 P05177 1/20 0.59
TSHR P16473 1/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1B P35368 1/20 0.59
KMT2A Q03164 1/20 0.55
HTR1D P28221 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL4629569 0.87 RAD52 (0.61) TAAR1ADRA2BADRA2CLMNACYP2D6
SCHEMBL952423 0.87 TAAR1 (0.69) TAAR1ADRA2BADRA2CLMNACYP2D6
SCHEMBL26078511 0.84 TAAR1 (0.65) TAAR1ADRA2BADRA2CLMNACYP2D6
SCHEMBL26078523 0.82 TAAR1 (0.70) TAAR1ADRA2BADRA2CLMNACYP2D6
Clonazoline SCHEMBL1814644 0.81 TAAR1 (0.64) TAAR1ADRA2BADRA2CLMNACYP2D6
SCHEMBL955616 0.81 TAAR1 (1.00) TAAR1ADRA2BADRA2CLMNACYP2D6
SCHEMBL27738503 0.80 TAAR1 (0.56) TAAR1ADRA2BADRA2CLMNACYP2D6
Clonazoline SCHEMBL6658522 0.80 TAAR1 (0.65) TAAR1ADRA2BADRA2CLMNACYP2D6
SCHEMBL26078542 0.79 TAAR1 (0.58) TAAR1ADRA2BADRA2CLMNACYP2D6
SCHEMBL953620 0.79 TAAR1 (0.68) TAAR1ADRA2BADRA2CLMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN claimed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP claimed
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
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO claimed
US-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE CURASEN THERAPEUTICS, INC. 2023-10-05 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
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
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN 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
US-5070086-A ANTIALLERGY, ANTIINFLAMMATORY, ANTIPSORIASIS SCHERING CORPORATION (US) 1991-12-03 US disclosed
EP-0325048-A1 Imidazo- and pyrimido-quinoline, naphthyridine and pyridopyrazine compounds SCHERING CORPORATION (US) 1989-07-26 EP 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 (2 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 117/4885ADRA2B 77/4885ADRA2C 58/4885
US-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE ADRA1A, ADRB1, ADRA1D TAAR1 26/4885ADRA2B 7/4885ADRA2C 8/4885

“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.