SCHEMBL769078

SCHEMBL769078

c1ccc2c(c1)COCC2Cc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.39
TAAR1 Q96RJ0 7/20 0.39
ADRA2A P08913 2/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HTR2B P41595 2/20 0.36
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL769614 0.77 ADRA1A (0.57) ADRA1ATAAR1ADRA2AADRA1DADRA1B
SCHEMBL687569 0.70 TAAR1 (0.41) ADRA1ATAAR1ADRA2AADRA1DADRA1B
SCHEMBL769077 0.70 TAAR1 (0.39) ADRA1ATAAR1ADRA2AADRA1DADRA1B
SCHEMBL8367488 0.70 HTR2A (0.34) CYP2D6
SCHEMBL7950524 0.70 MTNR1A (0.33)
SCHEMBL769161 0.69 TAAR1 (0.41) ADRA1ATAAR1ADRA2AADRA1DADRA1B
SCHEMBL11100422 0.69 ADRA1A (0.41) ADRA1ATAAR1ADRA2AADRA1DADRA1B
SCHEMBL6408593 0.69 PRCP (0.58) ADRA1AADRA2AADRA1DADRA1BSMN1; SMN2
Hydrochloric Acid SCHEMBL29960643 0.68 HTR2A (0.46) CYP2D6HTR2B
SCHEMBL29960263 0.67 HTR2A (0.47) CYP2D6

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 4 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 disclosed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP 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

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 ADRA1A 188/4885TAAR1 233/4885ADRA2A 102/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 ADRA1A 203/4885TAAR1 252/4885ADRA2A 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.