SCHEMBL21996005

SCHEMBL21996005

C[C@@H]1CN(C(=O)c2n[nH]c3c2CC2CC32)C[C@H](C)O1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.57
SLC6A4 P31645 1/20 0.57
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL11972373 0.73 HCAR2 (1.00) HCAR2SLC6A4
SCHEMBL30236770 0.73 HCAR2 (1.00) HCAR2SLC6A4
SCHEMBL21752508 0.73 HCAR2 (0.51) HCAR2ALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL4481593 0.72 HCAR2 (0.73) HCAR2SLC6A4
SCHEMBL21995739 0.71 HCAR2 (0.71) HCAR2SLC6A4
SCHEMBL11971747 0.69 HCAR2 (0.62) HCAR2SLC6A4
SCHEMBL21996073 0.68 RIPK1 (0.46) HCAR2NPC1RAB9A
SCHEMBL30102881 0.65 HCAR2 (0.60) HCAR2SLC6A4
SCHEMBL30102887 0.63 HCAR2 (0.53) HCAR2SLC6A4
SCHEMBL31032168 0.61 HCAR2 (0.65) HCAR2SLC6A4

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 HCAR2 247/4885SLC6A4 714/4885ALDH1A1 328/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC HCAR2 351/4885SLC6A4 871/4885ALDH1A1 325/4885

“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.