SCHEMBL769157

SCHEMBL769157

OC1(c2ncc[nH]2)CCOc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAP3K14 Q99558 2/20 0.40
TP53 P04637 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
NUDT1 P36639 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL768819 0.82 MAP3K14 (0.40) TSHRKMT2AMEN1CYP3A4CYP2D6
SCHEMBL769059 0.82 AKR1B1 (0.46) KMT2AMAP3K14ADRA2AKIF11
SCHEMBL769192 0.82 MAP3K14 (0.45) MAP3K14ADRA2AADRA2CADRA1DADRA1A
SCHEMBL769256 0.80 MAP3K14 (0.41) TSHRKMT2AMEN1CYP3A4CYP2D6
SCHEMBL769127 0.79 ADRA2A (0.35) TSHRKMT2AMEN1CYP3A4CYP2D6
SCHEMBL769399 0.79 ADRA2A (0.38) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL768941 0.76 SIGMAR1 (0.36) TSHRKMT2AMEN1CYP3A4CYP2D6
SCHEMBL9531758 0.75 TSHR (0.40) TSHRKMT2AMEN1CYP3A4CYP2D6
SCHEMBL27762726 0.75 TSHR (0.38) TSHRKMT2AMEN1CYP3A4CYP2D6
SCHEMBL779741 0.73 ADRA1A (0.39) TSHRKMT2AMEN1CYP3A4CYP2D6

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 8 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
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
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
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
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 TSHR 404/4885KMT2A 1403/4885MEN1 709/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 TSHR 411/4885KMT2A 1385/4885MEN1 696/4885

“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.