SCHEMBL21995968

SCHEMBL21995968

CCOC(=O)c1nn(CC(=O)OC(C)C)c2c1CC(O)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.34
TSHR P16473 2/20 0.34
ELANE P08246 2/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
HTT P42858 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CYP19A1 P11511 2/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL24878345 0.89 TRPM2 (0.35) TRPM2TSHRELANEPDE4APDE4B
SCHEMBL21995948 0.87 TRPM2 (0.36) TRPM2ELANEKMT2AMEN1PDE4A
SCHEMBL21996012 0.75 TRPM2 (0.40) TRPM2ELANEKMT2AMEN1PDE4A
SCHEMBL21995953 0.74 LMNA (0.38) TRPM2TSHRELANEKMT2AMEN1
SCHEMBL21995733 0.71 TRPM2 (0.34) TRPM2ELANEALDH1A1
SCHEMBL21752547 0.70 TRPM2 (0.45) TRPM2TSHRALDH1A1
SCHEMBL16006803 0.70 TRPM2 (0.47) TRPM2TSHRKMT2AMEN1ALDH1A1
SCHEMBL21995919 0.70 ALDH1A1 (0.34) TSHRELANEKMT2AMEN1PDE4A
SCHEMBL18372467 0.70 PDE4A (0.37) TRPM2ELANEKMT2AMEN1PDE4A
SCHEMBL23278661 0.70 PDE4A (0.37) TRPM2ELANEKMT2AMEN1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP disclosed
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 US disclosed
EP-3886845-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-06 EP disclosed
WO-2020112581-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-04 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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU TRPM2 3029/4885TSHR 3557/4885ELANE 1635/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC TRPM2 3102/4885TSHR 3608/4885ELANE 1567/4885

“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.