SCHEMBL953099

SCHEMBL953099

c1ccc2cc(CC3=NCCN3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 1.00
CYP2D6 P10635 3/20 1.00
NFKB1 P19838 1/20 1.00
ADRA2A P08913 3/20 0.65
ADRA2B P18089 3/20 0.65
ADRA2C P18825 3/20 0.65
ADRA1A P35348 3/20 0.65
LMNA P02545 2/20 0.65
ADRA1D P25100 2/20 0.65
ADRA1B P35368 2/20 0.65
CYP1A2 P05177 1/20 0.65
TSHR P16473 1/20 0.65
NISCH Q9Y2I1 4/20 0.60
HTR1B P28222 4/20 0.59
HTR1D P28221 5/20 0.57
MAPK1 P28482 2/20 0.55
HTR1A P08908 1/20 0.55
MAPT P10636 1/20 0.55
OPRM1 P35372 1/20 0.55
MAOA P21397 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
Hydrochloric Acid SCHEMBL8152596 0.98 TAAR1 (0.97) TAAR1CYP2D6NFKB1ADRA2AADRA2B
SCHEMBL953410 0.81 TAAR1 (0.68) TAAR1CYP2D6NFKB1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL956309 0.80 TAAR1 (0.67) TAAR1CYP2D6NFKB1ADRA2AADRA2B
Tolazoline SCHEMBL34961 0.79 TAAR1 (1.00) TAAR1CYP2D6NFKB1ADRA2AADRA2B
SCHEMBL7010399 0.79 TAAR1 (0.65) TAAR1CYP2D6NFKB1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL11629059 0.78 TAAR1 (0.64) TAAR1CYP2D6NFKB1ADRA2AADRA2B
Tolazoline SCHEMBL5053858 0.78 TAAR1 (1.00) TAAR1CYP2D6NFKB1ADRA2AADRA2B
Tolazoline SCHEMBL34869 0.78 TAAR1 (1.00) TAAR1CYP2D6NFKB1ADRA2AADRA2B
Tolazoline SCHEMBL28254903 0.78 TAAR1 (0.96) TAAR1CYP2D6NFKB1ADRA2AADRA2B
Tolazoline SCHEMBL9614505 0.78 TAAR1 (1.00) TAAR1CYP2D6NFKB1ADRA2AADRA2B

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 19 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-4540705-A Antidepressant imidazolines and related compounds STERLING DRUG INC. (US) 1985-09-10 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
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN 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
US-6048862-A Benzylamidine derivatives with serotonin receptor binding activity VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-04-11 US disclosed
US-5969137-A TREATMENT OF NERVOUS SYSTEM DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-10-19 US disclosed
US-4540705-A Antidepressant imidazolines and related compounds STERLING DRUG INC. (US) 1985-09-10 US disclosed
EP-0125410-A2 Imidazolines and related compounds and preparation thereof STERLING DRUG INC. (US) 1984-11-21 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 (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 338/4885NFKB1 2615/4885

“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.