SCHEMBL21995752

SCHEMBL21995752

CCOC(=O)c1nn(CC(=O)OC(C)(C)C)c2c1C(C(F)F)CC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.33
ENPP2 Q13822 1/20 0.33
DRD3 P35462 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
STAT3 P40763 1/20 0.31
ADORA1 P30542 1/20 0.31
LMNA P02545 2/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL21995733 0.79 TRPM2 (0.34) TRPM2ENPP2ALDH1A1STAT3LMNA
SCHEMBL21996012 0.79 TRPM2 (0.40) TRPM2GABRA1GABRG2GABRB3GABRA5
SCHEMBL21995948 0.78 TRPM2 (0.36) TRPM2ENPP2GABRA1GABRG2GABRB3
SCHEMBL24878671 0.77 IDO1 (0.36) TRPM2ENPP2KMT2AALDH1A1STAT3
SCHEMBL24878539 0.77 IDO1 (0.36) TRPM2ENPP2KMT2AALDH1A1STAT3
SCHEMBL23959588 0.76 STAT3 (0.33) TRPM2ENPP2KMT2AALDH1A1STAT3
SCHEMBL23959619 0.76 STAT3 (0.33) TRPM2ENPP2KMT2AALDH1A1STAT3
SCHEMBL21752547 0.75 TRPM2 (0.45) TRPM2ALDH1A1STAT3LMNAGAA
SCHEMBL16006803 0.75 TRPM2 (0.47) TRPM2MEN1KMT2AALDH1A1STAT3
SCHEMBL14487962 0.74 MEN1 (0.34) ENPP2GABRA1GABRG2GABRB3GABRA5

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 3029/4885ENPP2 75/4885DRD3 3450/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC TRPM2 3102/4885ENPP2 86/4885DRD3 3690/4885

“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.