SCHEMBL17104

SCHEMBL17104

C[C@H]1CNCCN1c1ncc(C(C)(O)C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.39
HTR2C P28335 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2B P41595 1/20 0.38
ROCK1 Q13464 4/20 0.36
SPAST Q9UBP0 1/20 0.35
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
HSD11B1 P28845 1/20 0.34
LATS1 O95835 1/20 0.33
KHK P50053 1/20 0.33
GSK3B P49841 4/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
RAD52 P43351 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
Hydrochloric Acid SCHEMBL17121 0.99 ROCK2 (0.39) ROCK2HTR2CCYP1A2CYP3A4HTR2B
Hydrochloric Acid SCHEMBL16587 0.99 ROCK2 (0.39) ROCK2HTR2CCYP1A2CYP3A4HTR2B
SCHEMBL17413 0.88 ROCK2 (0.40) ROCK2HTR2CCYP1A2CYP3A4HTR2B
Hydrochloric Acid SCHEMBL17409 0.87 ROCK2 (0.39) ROCK2HTR2CCYP1A2CYP3A4HTR2B
SCHEMBL31713305 0.87 ROCK2 (0.40) ROCK2HTR2CCYP1A2CYP3A4HTR2B
SCHEMBL12089177 0.87 ROCK2 (0.40) ROCK2HTR2CCYP1A2CYP3A4HTR2B
SCHEMBL24962983 0.85 ROCK2 (0.43) ROCK2HTR2CCYP1A2CYP3A4HTR2B
SCHEMBL28966630 0.85 ROCK2 (0.43) ROCK2HTR2CCYP1A2CYP3A4HTR2B
SCHEMBL23744328 0.85 ROCK2 (0.43) ROCK2HTR2CCYP1A2CYP3A4HTR2B
Hydrochloric Acid SCHEMBL28966581 0.84 ROCK2 (0.42) ROCK2HTR2CCYP1A2CYP3A4HTR2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 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 (1 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-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 ROCK2 1895/4885HTR2C 3581/4885CYP1A2 2281/4885

“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.