SCHEMBL954369

SCHEMBL954369

COc1c(CC2=NCCN2)ccc2occc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.43
HTR1B P28222 6/20 0.43
ADRA1A P35348 5/20 0.42
ADRA2A P08913 4/20 0.42
ADRA2B P18089 4/20 0.42
ADRA2C P18825 4/20 0.42
ADRA1D P25100 4/20 0.42
ADRA1B P35368 4/20 0.42
TAAR1 Q96RJ0 7/20 0.42
CYP2D6 P10635 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
HTR1A P08908 1/20 0.42
MAPT P10636 1/20 0.42
OPRM1 P35372 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
PTGIR P43119 1/20 0.41
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.36

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 SCHEMBL955416 0.99 TAAR1 (0.43) HTR1DHTR1BADRA1AADRA2AADRA2B
SCHEMBL26078365 0.83 HTR1D (0.56) HTR1DHTR1BADRA1AADRA2AADRA2B
SCHEMBL26078363 0.81 TAAR1 (0.45) HTR1DHTR1BADRA1AADRA2AADRA2B
SCHEMBL958812 0.78 TAAR1 (0.61) HTR1DHTR1BADRA1AADRA2AADRA2B
Hydrochloric Acid SCHEMBL956800 0.76 TAAR1 (0.62) HTR1DHTR1BADRA1AADRA2AADRA2B
SCHEMBL953395 0.72 TAAR1 (0.55) HTR1DHTR1BADRA1AADRA2AADRA2B
SCHEMBL4994516 0.71 HTR1D (0.57) HTR1DHTR1BADRA1AADRA2AADRA2B
SCHEMBL954825 0.70 CYP1A1 (0.48) CYP2D6MAPK1MAPTCYP1A2TSHR
SCHEMBL4630291 0.69 HTR1D (0.53) HTR1DHTR1BADRA1AADRA2AADRA2B
SCHEMBL952212 0.69 TAAR1 (0.59) HTR1DHTR1BADRA1AADRA2AADRA2B

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 12 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-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE CURASEN THERAPEUTICS, INC. 2023-10-05 US disclosed
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
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 (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 HTR1D 28/4885HTR1B 23/4885ADRA1A 75/4885
US-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE ADRA1A, ADRB1, ADRA1D HTR1D 47/4885HTR1B 105/4885ADRA1A 1/4885

“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.