SCHEMBL769025

SCHEMBL769025

N#CC1=CCCc2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
KDM4C Q9H3R0 1/20 0.36
SRD5A1 P18405 1/20 0.36
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP11B2 P19099 1/20 0.33
TYMS P04818 2/20 0.32
CYP19A1 P11511 1/20 0.31
NPY5R Q15761 1/20 0.30

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
SCHEMBL9523645 0.86 CYP11B2 (0.38) SRD5A1USP8USP7USP47CYP3A4
SCHEMBL769170 0.79 PARP10 (0.40) PARP1PARP10TYMSCYP19A1
SCHEMBL17187819 0.77 KDM4C (0.43) PARP1PARP10KDM4CSRD5A1ACHE
SCHEMBL31332076 0.77 KDM4C (0.43) PARP1PARP10KDM4CSRD5A1ACHE
SCHEMBL5981019 0.76 MPO (0.48) ACHECYP11B2CYP19A1
SCHEMBL2775537 0.74 CES1 (0.39) PARP1PARP10
SCHEMBL3276469 0.73 PARP1 (0.43) PARP1PARP10KDM4CSRD5A1ACHE
SCHEMBL644307 0.72 KDM4C (0.36) PARP10KDM4CCYP3A4CYP11B2CYP19A1
SCHEMBL7348531 0.70 NAMPT (0.40) SRD5A1
SCHEMBL12450250 0.70 TRPV4 (0.35) USP8USP7USP47CYP11B2

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 9 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

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 PARP1 2466/4885PARP10 2663/4885KDM4C 2849/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 PARP1 2549/4885PARP10 2730/4885KDM4C 2744/4885

“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.