SCHEMBL21995733

SCHEMBL21995733

CCOC(=O)c1nn(CC(=O)OC(C)(C)C)c2c1CC(C(F)F)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.34
CETP P11597 1/20 0.32
STAT3 P40763 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
LMNA P02545 1/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ENPP2 Q13822 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
SCHEMBL21995919 0.87 ALDH1A1 (0.34) NPC1RAB9ALMNAELANEKDM4E
SCHEMBL21996012 0.81 TRPM2 (0.40) TRPM2STAT3NPC1RAB9ALMNA
SCHEMBL21995948 0.80 TRPM2 (0.36) TRPM2STAT3NPC1RAB9AELANE
SCHEMBL21995752 0.79 TRPM2 (0.33) TRPM2STAT3NPC1RAB9ALMNA
SCHEMBL21752547 0.79 TRPM2 (0.45) TRPM2STAT3LMNAKDM4EMAPT
SCHEMBL16006803 0.79 TRPM2 (0.47) TRPM2STAT3LMNAKDM4EMAPT
SCHEMBL21995749 0.76 TRPM2 (0.37) TRPM2STAT3NPC1RAB9AKDM4E
SCHEMBL21996037 0.76 TRPM2 (0.37) TRPM2STAT3NPC1RAB9ALMNA
SCHEMBL24878671 0.74 IDO1 (0.36) TRPM2STAT3NPC1RAB9ALMNA
SCHEMBL24878539 0.74 IDO1 (0.36) TRPM2STAT3NPC1RAB9ALMNA

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 3029/4885CETP 3932/4885STAT3 3316/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC TRPM2 3102/4885CETP 3958/4885STAT3 3470/4885

“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.