SCHEMBL18726

SCHEMBL18726

OC(c1cnc(N2CCNC[C@@H]2CC2CCOCC2)nc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.48
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 4/20 0.48
GCKR Q14397 5/20 0.40
APAF1 O14727 1/20 0.35
IDE P14735 1/20 0.35
MLYCD O95822 4/20 0.35
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
KHK P50053 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
Trifluoroacetic Acid SCHEMBL16782 0.94 CYP2D6 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3GCKR
SCHEMBL12089864 0.87 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3GCKR
SCHEMBL18685 0.78 GCKR (0.43) GCKRMLYCD
SCHEMBL17282 0.75 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL17413 0.75 ROCK2 (0.40) GCKRHTR2AHTR2CHTR2BKHK
SCHEMBL17108 0.75 HTR2C (0.32) GCKRHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL17409 0.74 ROCK2 (0.39) GCKRHTR2AHTR2CHTR2BKHK
Trifluoroacetic Acid SCHEMBL12078489 0.74 GCKR (0.42) GCKRMLYCD
Trifluoroacetic Acid SCHEMBL16689 0.74 GCKR (0.42) GCKRMLYCD
Trifluoroacetic Acid SCHEMBL16690 0.74 GCKR (0.42) GCKRMLYCD

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 CYP2D6 1222/4885SLC6A2 3131/4885SLC6A4 3143/4885

“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.