SCHEMBL953334

SCHEMBL953334

CCCC(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
F2RL1 P55085 8/20 0.41
FPR2 P25090 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
FFAR1 O14842 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL7108264 0.86 CFTR (0.44) SLC6A2SLC6A4F2RL1FPR2
SCHEMBL954734 0.86 CHRM2 (0.45) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL8088802 0.86 FPR2 (0.43) ADRA2AADRA2BADRA2CMTORADK
SCHEMBL11229432 0.84 CHRM2 (0.63) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL9659736 0.83 HRH1 (0.55) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL4642031 0.83 FPR2 (0.39) ADRA2AADRA2BADRA2CF2RL1FPR2
Hydrochloric Acid SCHEMBL11226344 0.83 CHRM2 (0.61) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL5597421 0.82 FPR2 (0.39) ADRA2AADRA2BADRA2CF2RL1FPR2
SCHEMBL6433111 0.80 FPR2 (0.35) ADRA2AADRA2BADRA2CF2RL1FPR2
SCHEMBL6952503 0.79 MTOR (0.44) CHRM2SLC6A2SLC6A4SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CHRM2 191/4885SLC6A2 63/4885SLC6A4 84/4885

“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.