SCHEMBL769213

SCHEMBL769213

COc1ccc2c(c1)C(C1=NCCN1)CCC2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRM1 P35372 1/20 0.62
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
GID4 Q8IVV7 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CHRNA7 P36544 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
Hydrochloric Acid SCHEMBL10749411 0.99 CYP2D6 (0.63) CYP2D6HTR1AADRA2AADRA1AOPRM1
SCHEMBL4628345 0.95 ADRA1A (0.60) CYP2D6HTR1AADRA2AADRA1AOPRM1
SCHEMBL769130 0.90 ADRA1A (0.62) CYP2D6HTR1AADRA2AADRA1AOPRM1
Hydrochloric Acid SCHEMBL10751218 0.89 CYP2D6 (0.63) CYP2D6HTR1AADRA2AADRA1AOPRM1
SCHEMBL10854235 0.84 NISCH (0.47) CYP2D6HTR1AADRA2AADRA1AOPRM1
SCHEMBL769057 0.83 ADRA1A (0.67) CYP2D6HTR1AADRA2AADRA1AOPRM1
Hydrochloric Acid SCHEMBL10749865 0.81 CYP2D6 (0.59) CYP2D6HTR1AADRA2AADRA1AOPRM1
Hydrochloric Acid SCHEMBL9814104 0.81 CYP2D6 (0.52) CYP2D6HTR1AADRA2AADRA1AOPRM1
SCHEMBL9814148 0.81 ADRA1A (0.67) CYP2D6HTR1AADRA2AADRA1AOPRM1
SCHEMBL769606 0.81 ADRA1A (0.67) CYP2D6HTR1AADRA2AADRA1AOPRM1

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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US claimed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
EP-0166937-B1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1991-08-28 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 (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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 CYP2D6 425/4885HTR1A 39/4885ADRA2A 102/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 CYP2D6 312/4885HTR1A 50/4885ADRA2A 106/4885

“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.