SCHEMBL17675

SCHEMBL17675

CC(O)(c1ccc(N2CCNCC2)cc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.51
MAOB P27338 1/20 0.48
HTR3E A5X5Y0 4/20 0.47
HTR3B O95264 4/20 0.47
HTR3A P46098 4/20 0.47
HTR3D Q70Z44 4/20 0.47
HTR3C Q8WXA8 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
GCK P35557 1/20 0.47
GCKR Q14397 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTR1D P28221 1/20 0.46
HTR2C P28335 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43

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 SCHEMBL16844 0.98 ADRB1 (0.50) ADRB1MAOBHTR3EHTR3BHTR3A
SCHEMBL16649 0.83 GCK (0.52) ADRB1MAOBHTR3EHTR3BHTR3A
SCHEMBL12088780 0.83 ADRB1 (0.58) ADRB1MAOBHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL17136 0.82 GCK (0.51) ADRB1MAOBHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL17891 0.82 GCK (0.51) ADRB1MAOBHTR3EHTR3BHTR3A
SCHEMBL5313181 0.79 ADRB1 (0.50) ADRB1MAOBHTR3EHTR3BHTR3A
SCHEMBL7178620 0.79 ADRB1 (0.67) ADRB1MAOBHTR3EHTR3BHTR3A
SCHEMBL270283 0.79 ADRB1 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL233850 0.79 ADRB1 (0.67) ADRB1MAOBHTR3EHTR3BHTR3A
SCHEMBL25052 0.78 HTR6 (0.42) ADRB1HTR3EHTR3BHTR3AHTR3D

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 ADRB1 2294/4885MAOB 4524/4885HTR3E 4241/4885

“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.