SCHEMBL954687

SCHEMBL954687

COc1cc(Br)c(C)c(CC2=NCCN2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 10/20 0.52
HTR1D P28221 11/20 0.50
PTGIR P43119 1/20 0.47
ADRA2A P08913 5/20 0.46
ADRA2C P18825 5/20 0.46
ADRA1D P25100 5/20 0.46
ADRA1A P35348 5/20 0.46
ADRA1B P35368 5/20 0.46
ADRA2B P18089 4/20 0.46
HTR1A P08908 3/20 0.43
LMNA P02545 2/20 0.43
CHRM2 P08172 2/20 0.43
CYP2D6 P10635 2/20 0.43
CHRM1 P11229 2/20 0.43
TSHR P16473 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
DRD3 P35462 2/20 0.43
HTR2B P41595 2/20 0.43
TP53 P04637 1/20 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
SCHEMBL4629208 0.88 HTR1D (0.56) HTR1BHTR1DPTGIRADRA2AADRA2C
SCHEMBL4630336 0.82 TAAR1 (0.47) HTR1BHTR1DPTGIRADRA2AADRA2C
SCHEMBL954541 0.77 HTR1D (0.49) HTR1BHTR1DPTGIRADRA2AADRA2C
SCHEMBL952668 0.77 HTR1D (0.71) HTR1BHTR1DPTGIRADRA2AADRA2C
Hydrochloric Acid SCHEMBL955445 0.76 HTR1B (0.48) HTR1BHTR1DPTGIRADRA2AADRA2C
SCHEMBL953504 0.76 HTR1B (0.60) HTR1BHTR1DPTGIRADRA2AADRA2C
SCHEMBL10934485 0.73 HTR1B (0.53) HTR1BHTR1DPTGIRADRA2AADRA2C
SCHEMBL4630606 0.72 HTR1D (0.47) HTR1BHTR1DPTGIRADRA2AADRA2C
SCHEMBL954907 0.71 HTR1B (0.55) HTR1BHTR1DPTGIRADRA2AADRA2C
Hydrochloric Acid SCHEMBL954264 0.70 HTR1B (0.53) HTR1BHTR1DPTGIRADRA2AADRA2C

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 13 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
EP-1641535-A4 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-05-14 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
EP-1641535-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005005380-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-01-20 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 HTR1B 23/4885HTR1D 28/4885PTGIR 1614/4885

“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.