SCHEMBL18078

SCHEMBL18078

COc1ncccc1CC1CNCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
LTA4H P09960 1/20 0.41
KDM1A O60341 5/20 0.41
MAOB P27338 1/20 0.41
MAOA P21397 2/20 0.38
SLC13A5 Q86YT5 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CXCR4 P61073 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL23868401 0.80 EED (0.44) CHRNB4CHRNA3KDM1AMAOBMAOA
SCHEMBL17459796 0.79 CXCR4 (0.39) LTA4HKDM1AMAOBMAOACHRNB2
SCHEMBL5557599 0.77 SLC6A2 (0.45) CHRNB4CHRNA3LTA4HSLC6A2SLC6A4
SCHEMBL5557603 0.77 SLC6A2 (0.45) CHRNB4CHRNA3LTA4HSLC6A2SLC6A4
SCHEMBL6132916 0.74 CHRNB4 (0.39) CHRNB4CHRNA3LTA4HSLC6A2SLC6A4
SCHEMBL23886375 0.73 KDM1A (0.48) CHRNB4CHRNA3KDM1AMAOBMAOA
SCHEMBL7501787 0.72 LTA4H (0.41) LTA4HHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL28577782 0.71 KDM1A (0.53) CHRNB4CHRNA3KDM1AMAOBMAOA
SCHEMBL3830620 0.71 KDM1A (0.46) CHRNB4CHRNA3KDM1AMAOBMAOA
SCHEMBL818603 0.71 LTA4H (0.43) LTA4HSLC6A2SLC6A4SLC6A3HRH3

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
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-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US 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
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 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 CHRNB4 4742/4885CHRNA3 4716/4885LTA4H 4167/4885

“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.