SCHEMBL21995891

SCHEMBL21995891

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
DTYMK P23919 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
PIK3CD O00329 4/20 0.36
PIK3R2 O00459 4/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CG P48736 4/20 0.36
PIK3R5 Q8WYR1 4/20 0.36
PIK3R3 Q92569 4/20 0.36
JAK1 P23458 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SPR P35270 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21855636 0.88 HPGD (0.38) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL31011271 0.86 STAT3 (0.41) ALOX15ALDH1A1
SCHEMBL21752599 0.86 STAT3 (0.41) ALOX15ALDH1A1
SCHEMBL21855567 0.84 PIK3CD (0.38) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL24088494 0.84 PIK3CD (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL21995965 0.83 UGCG (0.38) ALOX15ALDH1A1MEN1KMT2A
SCHEMBL21752706 0.83 ALDH1A1 (0.36) ALOX15ALDH1A1KMT2AIDO1
SCHEMBL21752707 0.83 ALDH1A1 (0.36) ALOX15ALDH1A1KMT2AIDO1
SCHEMBL23780221 0.82 ALDH1A1 (0.36) ALOX15ALDH1A1KMT2AIDO1
SCHEMBL21752501 0.82 KMT2A (0.40) ALOX15ALDH1A1KMT2AIDO1

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 6 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
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 ALOX15 633/4885DTYMK 1252/4885DDB1 2903/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC ALOX15 859/4885DTYMK 962/4885DDB1 2970/4885

“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.