SCHEMBL17101820

SCHEMBL17101820

CCc1ncc(C(N)=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 7/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ USP7 Q93009 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ SARM1 Q6SZW1 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ SIRT4 Q9Y6E7 1/20 0.36
▸ MKNK1 Q9BUB5 2/20 0.36

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
SCHEMBL22401242 0.83 NNMT (0.42) NNMTSMN1; SMN2PARP10TSHREPHX2
SCHEMBL14095724 0.80 KMT2A (0.37) TSHRL3MBTL1
SCHEMBL186656 0.80 ALDH1A1 (0.52) SMN1; SMN2KDM4E
SCHEMBL7092189 0.79 EPHX2 (0.44) NNMTSMN1; SMN2PARP10EPHX2LMNA
SCHEMBL28869347 0.78 PRSS1 (0.42) F7F3
SCHEMBL4132044 0.78 MAPT (0.37) LMNAL3MBTL1
SCHEMBL31510758 0.77 NNMT (0.44) NNMTSMN1; SMN2PARP10TSHRKDM4E
SCHEMBL669121 0.77 NNMT (0.52) NNMTSMN1; SMN2TSHRLMNAKDM4E
SCHEMBL3407188 0.76 NNMT (0.56) NNMTSMN1; SMN2TSHRLMNAKDM4E
SCHEMBL2717056 0.75 PARP10 (0.53) NNMTSMN1; SMN2PARP10TSHREPHX2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502158-A IRAK degradation agent and application thereof 凯麦拉医疗公司 2022-05-13 — — CN disclosed
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
CN-106459073-B 5- oxa- -2- azabicyclics [2.2.2] octyl- 4- bases and 5- oxa- -2- azabicyclics [2.2.1] hept- 4- radical derivatives as TAAR1 conditioning agents 豪夫迈·罗氏有限公司 2018-11-13 — — CN disclosed
EP-3149002-B1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES AS TAAR1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-04-25 — — EP 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-9663530-B2 5-oxa-2-azabicyclo[2.2.2]OCTAN-4-yl and 5-oxa-2-azabicyclo[2.2.1]heptan-4-yl derivatives HOFFMANN-LA ROCHE INC. (US) 2017-05-30 — — US 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
CN-106661043-A 2-oxa-5-azabicyclo[2.2.1]heptan-3-yl derivatives 豪夫迈·罗氏有限公司 2017-05-10 — — CN disclosed
EP-3149002-A1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES AS TAAR1 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-04-05 — — EP disclosed
US-20170066775-A1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-03-09 — — US disclosed
CN-106459073-A 5-oxa-2-azabicyclo[2.2.2]octan-4-yl and 5-oxa-2-azabicyclo[2.2.1]heptan-4-yl derivatives as TAAR1 modulators 豪夫迈·罗氏有限公司 2017-02-22 — — CN disclosed
EP-3119757-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC AND RELATED DISORDERS Pfizer Inc. (US) 2017-01-25 — — EP disclosed
WO-2016016292-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-02-04 — — WO disclosed
WO-2016015333-A1 2-OXA-5-AZABICYCLO [2.2.1] HEPTAN-3-YL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2016-02-04 — — WO disclosed
WO-2015181061-A1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES AS TAAR1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 — — WO disclosed
WO-2015140658-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC AND RELATED DISORDERS PFIZER INC. (US) 2015-09-24 — — 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 (2 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 NNMT 2319/4885SMN1; SMN2 1282/4885PARP10 3058/4885
US-20170066775-A1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES GRIN2C, NR3C2, HTR2C NNMT 1289/4885SMN1; SMN2 1052/4885PARP10 2115/4885

“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.

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