SCHEMBL21995965

SCHEMBL21995965

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCNCC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 2/20 0.38
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 2/20 0.36
PLAT P00750 1/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL21752706 0.88 ALDH1A1 (0.36) ALDH1A1ALOX15NPC1SMN1; SMN2HPGD
SCHEMBL21752707 0.88 ALDH1A1 (0.36) ALDH1A1ALOX15NPC1SMN1; SMN2HPGD
SCHEMBL23780221 0.87 ALDH1A1 (0.36) ALDH1A1ALOX15NPC1SMN1; SMN2HPGD
SCHEMBL23780113 0.86 IDO1 (0.38) ALDH1A1ALOX15NPC1SMN1; SMN2HPGD
SCHEMBL21752501 0.84 KMT2A (0.40) ALDH1A1ALOX15NPC1SMN1; SMN2HPGD
SCHEMBL21752525 0.83 LMNA (0.45) ALDH1A1NPC1SMN1; SMN2HPGDCYP2C19
SCHEMBL21995891 0.83 ALOX15 (0.41) ALDH1A1ALOX15MEN1KMT2A
SCHEMBL23780238 0.83 KMT2A (0.38) UGCGALDH1A1ALOX15NPC1SMN1; SMN2
SCHEMBL24120154 0.82 IDO1 (0.34) ALDH1A1ALOX15NPC1SMN1; SMN2HPGD
SCHEMBL24878060 0.82 ALOX15 (0.43) ALDH1A1ALOX15SMN1; SMN2HPGDCYP2C19

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 UGCG 2303/4885ALDH1A1 328/4885ALOX15 633/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC UGCG 2067/4885ALDH1A1 325/4885ALOX15 859/4885

“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.