SCHEMBL1059613

SCHEMBL1059613

CC1(C)OC[C@H](Cn2ccc(N)n2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CA2 P00918 2/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 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
SCHEMBL610404 1.00 ALDH1A1 (0.41) ALDH1A1NPSR1TMEM97SIGMAR1CA2
SCHEMBL610403 1.00 ALDH1A1 (0.41) ALDH1A1NPSR1TMEM97SIGMAR1CA2
SCHEMBL29694278 0.86 CA2 (0.35) ALDH1A1NPSR1TMEM97SIGMAR1CA2
SCHEMBL12200438 0.84 ALDH1A1 (0.45) ALDH1A1NPSR1TMEM97SIGMAR1CA2
SCHEMBL12200443 0.84 ALDH1A1 (0.45) ALDH1A1NPSR1TMEM97SIGMAR1CA2
SCHEMBL2662008 0.80 TMEM97 (0.45) ALDH1A1NPSR1TMEM97SIGMAR1CA2
SCHEMBL1080225 0.80 TMEM97 (0.45) ALDH1A1NPSR1TMEM97SIGMAR1CA2
SCHEMBL1064093 0.78 KMT2A (0.41) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL1061833 0.78 KMT2A (0.41) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10
SCHEMBL1061834 0.78 KMT2A (0.41) ALDH1A1NPSR1TMEM97SIGMAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP claimed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US claimed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US claimed
CN-102007116-B Pyridazinone glucokinase activators HOFFMAN-LA ROCHE LTD. (CH) 2014-10-22 CN disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009091014-A1 PHENYL ACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-07-23 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 (3 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-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR ALDH1A1 1865/4885NPSR1 2445/4885TMEM97 3677/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885NPSR1 3628/4885TMEM97 4438/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885NPSR1 4397/4885TMEM97 3689/4885

“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.