Sugi Predict

Sugi Predict / Compounds / SCHEMBL1233339

SCHEMBL1233339

SCHEMBL1233339

CCOC(=O)c1cc(CC(C)C)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ HCAR2 Q8TDS4 4/20 0.45
▸ THRB P10828 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ KDM5A P29375 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PDE4D Q08499 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL13734624 0.90 KMT2A (0.47) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL1149548 0.85 HCAR2 (0.48) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL1233899 0.84 HCAR2 (0.64) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL1149593 0.83 HCAR2 (0.50) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL7705757 0.83 HCAR2 (0.59) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL1149699 0.83 POLB (0.53) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL1149227 0.83 POLB (0.53) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL1259028 0.81 HCAR2 (0.66) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL11093186 0.81 KMT2A (0.50) KMT2ANPSR1L3MBTL1POLBHCAR2
SCHEMBL21607841 0.81 HCAR2 (0.66) KMT2ANPSR1L3MBTL1POLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174886-B1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-02-17 — — EP disclosed
CN-106661043-B 2-oxa-5-azabicyclo [2.2.1] hept-3-yl derivatives 豪夫迈·罗氏有限公司 2020-01-17 — — CN disclosed
EP-3137459-B1 MORPHOLIN-PYRIDINE DERIVATIVES HAVING AFFINITY TO THE TAAR1 RECEPTOR HOFFMANN LA ROCHE (CH) 2018-05-23 — — EP disclosed
US-9840501-B2 Morpholin-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-12-12 — — US disclosed
US-9790230-B2 2-oxa-5-azabicyclo[2.2.1]heptan-3-yl derivatives HOFFMANN-LA ROCHE INC. (US) 2017-10-17 — — US disclosed
EP-3174886-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-06-07 — — EP disclosed
US-20170137435-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-18 — — US disclosed
EP-3137459-A1 MORPHOLIN-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-03-08 — — EP disclosed
US-20170044145-A1 MORPHOLIN-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-16 — — US disclosed
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 — — EP disclosed
CN-1893943-A Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES CO (US) 2007-01-10 — — CN disclosed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 — — WO disclosed
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 — — EP disclosed
US-20060100229-A1 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 — — US disclosed
US-6967204-B2 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC (US) 2005-11-22 — — US disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 — — WO disclosed
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC 2005-03-31 — — US disclosed
EP-1444009-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS Pfizer Products Inc. (US) 2004-08-11 — — EP disclosed
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors FRYBURG DAVID A (US) 2004-02-05 — — US disclosed
WO-2003037432-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-05-08 — — 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-20170137435-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HCRTR2, HCRTR1, CYP11B2 KMT2A 801/4885NPSR1 178/4885L3MBTL1 2208/4885
US-20170044145-A1 MORPHOLIN-PYRIDINE DERIVATIVES OPRM1, MC2R, OPRL1 KMT2A 1343/4885NPSR1 28/4885L3MBTL1 3901/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 KMT2A 3149/4885NPSR1 2396/4885L3MBTL1 4466/4885
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A KMT2A 2168/4885NPSR1 1030/4885L3MBTL1 4472/4885
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A KMT2A 2168/4885NPSR1 1030/4885L3MBTL1 4472/4885

“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.