SCHEMBL2117366

SCHEMBL2117366

Cc1c(O)ccc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.61
NR1H2 P55055 2/20 0.56
MAPK1 P28482 1/20 0.47
ADORA1 P30542 2/20 0.44
UCHL1 P09936 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SCN9A Q15858 1/20 0.43
ACACB O00763 1/20 0.41
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
NAMPT P43490 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
F12 P00748 1/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL31680222 1.00 ESR2 (0.61) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL2131466 0.91 ESR2 (0.55) ESR2NR1H2MAPK1ADORA1MAPT
SCHEMBL14768522 0.88 ESR2 (0.59) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL17583907 0.88 ESR2 (0.62) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL23684121 0.86 ESR2 (0.60) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL17583852 0.86 ESR2 (0.63) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL30260187 0.86 ESR2 (0.60) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL17583921 0.86 ESR2 (0.60) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL13012501 0.86 NR1H2 (0.62) ESR2NR1H2MAPK1ADORA1UCHL1
SCHEMBL29391677 0.86 ESR2 (0.63) ESR2NR1H2MAPK1ADORA1UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463362-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME LLC (US) 2025-09-03 EP disclosed
WO-2025101738-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE PRELUDE THERAPEUTICS INCORPORATED (US) 2025-05-15 WO disclosed
US-11986471-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
US-20230060499-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-03-02 US disclosed
US-20230060499-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2021-11-02 US disclosed
US-11077101-B1 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-11077101-B1 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-11-05 US disclosed
EP-3172202-B1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INT (DE) 2020-01-29 EP disclosed
WO-2010145202-A1 THIAZOLE OR THIADIZALOE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
EP-2225233-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) Glaxo Group Limited (GB) 2010-09-08 EP disclosed
US-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2010-06-17 US disclosed
US-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2010-06-17 US disclosed
US-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2010-06-17 US disclosed
WO-2009080724-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080724-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) GLAXO GROUP LIMITED (GB) 2009-07-02 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 (7 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-20100152235-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1P) S1PR3, S1PR1, S1PR2 ESR2 1514/4885NR1H2 36/4885MAPK1 1705/4885
US-11986471-B2 Compounds and methods of use XDH, F12, LPXN ESR2 1084/4885NR1H2 469/4885MAPK1 3527/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 ESR2 366/4885NR1H2 24/4885MAPK1 1495/4885
US-20100273827-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (S1p) S1PR3, S1PR1, S1PR2 ESR2 1397/4885NR1H2 35/4885MAPK1 1708/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 ESR2 366/4885NR1H2 24/4885MAPK1 1495/4885
US-11077101-B1 Compounds and methods of use XDH, F12, LPXN ESR2 1084/4885NR1H2 469/4885MAPK1 3527/4885
US-20230060499-A1 COMPOUNDS AND METHODS OF USE XDH, F12, LPXN ESR2 1084/4885NR1H2 469/4885MAPK1 3527/4885

“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.