SCHEMBL956651

SCHEMBL956651

Cc1ccc(F)cc1CC1=NCCN1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 9/20 0.57
▸ HTR1B P28222 8/20 0.57
▸ ADRA2A P08913 7/20 0.56
▸ ADRA1A P35348 7/20 0.56
▸ ADRA2B P18089 6/20 0.56
▸ ADRA2C P18825 6/20 0.56
▸ ADRA1D P25100 6/20 0.56
▸ ADRA1B P35368 6/20 0.56
▸ NISCH Q9Y2I1 2/20 0.54
▸ TAAR1 Q96RJ0 3/20 0.53
▸ HTR1A P08908 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CHRM3 P20309 1/20 0.49

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 SCHEMBL957676 0.98 HTR1D (0.56) HTR1DHTR1BADRA2AADRA1AADRA2B
SCHEMBL26078490 0.88 HTR1D (0.68) HTR1DHTR1BADRA2AADRA1AADRA2B
SCHEMBL954604 0.84 HTR1D (0.60) HTR1DHTR1BADRA2AADRA1AADRA2B
SCHEMBL26078487 0.84 TAAR1 (0.56) HTR1DHTR1BADRA2AADRA1AADRA2B
SCHEMBL26078507 0.82 HTR1D (0.57) HTR1DHTR1BADRA2AADRA1AADRA2B
SCHEMBL26078567 0.81 HTR1D (0.63) HTR1DHTR1BADRA2AADRA1AADRA2B
SCHEMBL953794 0.81 TAAR1 (0.58) HTR1DHTR1BADRA2AADRA1AADRA2B
SCHEMBL26078392 0.78 HTR1D (0.52) HTR1DHTR1BADRA2AADRA1AADRA2B
SCHEMBL953620 0.78 TAAR1 (0.68) HTR1DHTR1BADRA2AADRA1AADRA2B
SCHEMBL954733 0.77 TAAR1 (0.57) HTR1DHTR1BADRA2AADRA1AADRA2B

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-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

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 HTR1D 28/4885HTR1B 23/4885ADRA2A 71/4885

“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.

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