SCHEMBL971804

SCHEMBL971804

CC(C)Oc1cn[c]cn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ACACB O00763 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
SCHEMBL990506 0.78
SCHEMBL16541051 0.75 GABRP (0.36) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL992408 0.71
SCHEMBL1515054 0.68
SCHEMBL9899934 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL127825 0.68 ALDH1A1 (0.38) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11779433 0.68 GABRP (0.35) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL8564518 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20240566 0.67 GABRP (0.38) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL991144 0.67

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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 (5 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885GABRP 2047/4885GABRD 2675/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885GABRP 1226/4885GABRD 1213/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885GABRP 2047/4885GABRD 2675/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 ALDH1A1 467/4885GABRP 1079/4885GABRD 3638/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885GABRP 2184/4885GABRD 2579/4885

“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.