SCHEMBL797568

SCHEMBL797568

COC(=O)C1C(=O)CC2CCC1N2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
PREP P48147 4/20 0.39
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KAT2B Q92831 1/20 0.33
ABCB1 P08183 1/20 0.33
HDAC1 Q13547 1/20 0.33
PDE4B Q07343 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL15239620 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3CYP1A2HIF1A
SCHEMBL29642341 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3CYP1A2HIF1A
SCHEMBL1012317 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3CYP1A2HIF1A
SCHEMBL7247150 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL1010269 0.84 CYP1A2 (0.54) CHRM2CHRM1CHRM3CYP1A2HIF1A
SCHEMBL16237251 0.83 CHRM2 (0.37) CHRM2CHRM1CHRM3CYP1A2HIF1A
SCHEMBL20845556 0.83 CYP1A2 (0.49) CYP1A2HIF1AALDH1A1
SCHEMBL24701533 0.83 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL31080086 0.80 CHRM2 (0.50) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL21124699 0.80 CHRM2 (0.50) CHRM2CHRM1CHRM3PREPHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-06-29 US disclosed
EP-4086249-A2 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME Trevena, Inc. (US) 2022-11-09 EP disclosed
EP-4086249-A2 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME Trevena, Inc. (US) 2022-11-09 EP disclosed
US-11465980-B2 6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2022-10-11 US disclosed
CN-114773318-A Delta opioid receptor modulating compounds containing six-membered azaheterocycles, methods of use and preparation thereof 特维娜有限公司 2022-07-22 CN disclosed
CN-108025002-B Delta opioid receptor modulating compounds containing six membered azaheterocycles, methods of use and preparation thereof 特维娜有限公司 2022-05-13 CN disclosed
US-11319321-B2 [1,2,4]triazolo[1,5-a]pyrimidine compounds as PDE2 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2022-05-03 US disclosed
EP-3344248-B1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2022-03-23 EP disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-10947242-B2 [1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2021-03-16 US disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 US disclosed
EP-2632268-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
EP-2615916-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-24 EP disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
WO-2012058127-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2012-05-03 WO disclosed
WO-2012058127-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2012-05-03 WO disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 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 (6 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-11465980-B2 6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 CHRM2 179/4885CHRM1 146/4885CHRM3 144/4885
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 CHRM2 4760/4885CHRM1 4753/4885CHRM3 4500/4885
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 CHRM2 4750/4885CHRM1 4605/4885CHRM3 4690/4885
US-11319321-B2 [1,2,4]triazolo[1,5-a]pyrimidine compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A CHRM2 1007/4885CHRM1 1366/4885CHRM3 1785/4885
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 CHRM2 179/4885CHRM1 146/4885CHRM3 144/4885
US-10947242-B2 [1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A CHRM2 1057/4885CHRM1 1271/4885CHRM3 1610/4885

“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.