SCHEMBL17872

SCHEMBL17872

O=C(O)N1CCN[C@@H](CN2C3CCC2COC3)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.32
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA4 P22748 4/20 0.31
CA9 Q16790 4/20 0.31
PLD2 O14939 1/20 0.30
PLD1 Q13393 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
SCHEMBL19664 0.81 USP2 (0.39)
SCHEMBL11189479 0.74 PARP1 (0.43) ADRB1CA1CA2CA4CA9
SCHEMBL18788447 0.74 PARP1 (0.43) ADRB1CA1CA2CA4CA9
SCHEMBL16178360 0.74 PARP1 (0.43) ADRB1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL12078887 0.72 PARP1 (0.42) ADRB1CA1CA2CA4CA9
SCHEMBL17383 0.72 BIRC2 (0.33) CA1CA2CA9
SCHEMBL2418102 0.72 REN (0.42) ADRB1CA1CA2CA4CA9
SCHEMBL15005734 0.72 REN (0.42) ADRB1CA1CA2CA4CA9
SCHEMBL2011996 0.72 REN (0.42) ADRB1CA1CA2CA4CA9
SCHEMBL12079545 0.71 CA1 (0.32) ADRB1CA1CA2CA4CA9

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 4 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

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 2294/4885CA1 4137/4885CA2 632/4885

“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.