SCHEMBL20570792

SCHEMBL20570792

O=C(O)c1ccc2[nH]c(CO)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
SIRT1 Q96EB6 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
F2 P00734 3/20 0.46
APEX1 P27695 3/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ENPP2 Q13822 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ESR2 Q92731 1/20 0.41
SMAD3 P84022 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL30457877 1.00 HRH3 (0.52) HRH3NPSR1SIRT1SIRT2F2
SCHEMBL1664310 0.87 HRH3 (0.50) HRH3NPSR1SIRT1SIRT2F2
SCHEMBL6256459 0.85 HRH3 (0.58) HRH3SIRT1SIRT2F2APEX1
SCHEMBL12804099 0.85 MMP2 (0.54) HRH3SIRT1F2HSD17B10TSHR
SCHEMBL2974997 0.85 HRH3 (0.51) HRH3NPSR1SIRT1SIRT2F2
SCHEMBL6240732 0.85 KDM4E (0.51) HRH3NPSR1SIRT1SIRT2F2
SCHEMBL6253984 0.82 HRH3 (0.56) HRH3SIRT1SIRT2F2APEX1
SCHEMBL8181089 0.81 HRH3 (0.48) HRH3NPSR1SIRT1SIRT2F2
SCHEMBL26926590 0.81 HRH3 (0.55) HRH3SIRT1SIRT2F2KDM4E
SCHEMBL17514252 0.81 HRH3 (0.48) HRH3NPSR1SIRT1SIRT2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634404-B1 PYRAZOLE MAGL INHIBITORS H LUNDBECK AS (DK) 2024-11-20 EP disclosed
CN-111050765-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2024-01-02 CN disclosed
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
CN-110678177-B Pyrazole MAGL inhibitors H.隆德贝克有限公司 2023-06-13 CN disclosed
US-11149037-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2021-10-19 US disclosed
US-11149037-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2021-10-19 US disclosed
US-11142526-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-10-12 US disclosed
US-11142526-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-10-12 US disclosed
US-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2020-08-13 US disclosed
EP-3675847-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Lundbeck La Jolla Research Center, Inc. (US) 2020-07-08 EP disclosed
CN-111050765-A Spiro compounds and methods of making and using the same 隆德贝克拉荷亚研究中心有限公司 2020-04-21 CN disclosed
EP-3634404-A1 PYRAZOLE MAGL INHIBITORS Lundbeck La Jolla Research Center, Inc. (US) 2020-04-15 EP disclosed
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2020-03-19 US disclosed
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2020-03-19 US disclosed
CN-110678177-A Pyrazole MAGL inhibitors 隆德贝克拉荷亚研究中心有限公司 2020-01-10 CN disclosed
CN-109485595-A Indole carboxamides analog derivative, preparation method and its application in medicine that hydrophilic radical replaces 江苏恒瑞医药股份有限公司 2019-03-19 CN disclosed
WO-2019046318-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
WO-2019046318-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
WO-2018217809-A1 PYRAZOLE MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-11-29 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 (4 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-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 HRH3 4858/4885NPSR1 1592/4885SIRT1 1775/4885
US-11149037-B2 Pyrazole MAGL inhibitors MAGI3, MAG, PYM1 HRH3 3204/4885NPSR1 3560/4885SIRT1 3393/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 HRH3 3204/4885NPSR1 3560/4885SIRT1 3393/4885
US-11142526-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, OPRK1 HRH3 4858/4885NPSR1 1592/4885SIRT1 1775/4885

“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.