SCHEMBL769104

SCHEMBL769104

CC1(C)C=C(c2ncc[nH]2)c2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.40
MTOR P42345 1/20 0.40
ADK P55263 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ADRA2A P08913 1/20 0.35
IDO1 P14902 1/20 0.35
OPRD1 P41143 5/20 0.33
KCNH2 Q12809 4/20 0.33
OPRK1 P41145 1/20 0.33
ADRA1A P35348 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
SCHEMBL9525700 0.75 KDM4E (0.39) CYP2D6CYP2C9CYP2C19ALDH1A1OPRD1
SCHEMBL768219 0.72 NISCH (0.41) NISCHMTORADKMEN1KMT2A
SCHEMBL9524666 0.71 METAP2 (0.37) MEN1KMT2ACYP2C19OPRD1KCNH2
SCHEMBL768730 0.71 NISCH (0.42) NISCHMTORADKMEN1KMT2A
SCHEMBL9287236 0.68 NISCH (0.64) NISCHMTORADKMEN1KMT2A
SCHEMBL9523520 0.68 CCNC (0.40) CYP2D6OPRD1KCNH2
SCHEMBL9845357 0.67 OPRD1 (0.45) CYP2D6ALDH1A1OPRD1KCNH2OPRK1
SCHEMBL14886257 0.66 NISCH (0.61) NISCHMTORADKMEN1KMT2A
SCHEMBL6535545 0.66 ALDH1A1 (0.41) MEN1KMT2ACYP3A4CYP2C9TSHR
SCHEMBL27313326 0.64 ALDH1A1 (0.37) MEN1KMT2ACYP3A4CYP2C9TSHR

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 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
CN-101374517-A Use of 2-imidazoles for the treatment of CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 CN 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
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 NISCH 362/4885MTOR 717/4885ADK 344/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 NISCH 362/4885MTOR 779/4885ADK 392/4885

“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.