SCHEMBL21752706

SCHEMBL21752706

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCC(O)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 2/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 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
SCHEMBL21752707 1.00 ALDH1A1 (0.36) ALDH1A1KMT2AIDO1ALOX15NPC1
SCHEMBL23780221 0.91 ALDH1A1 (0.36) ALDH1A1KMT2AIDO1ALOX15NPC1
SCHEMBL23780113 0.90 IDO1 (0.38) ALDH1A1KMT2AIDO1ALOX15NPC1
SCHEMBL21752501 0.88 KMT2A (0.40) ALDH1A1KMT2AIDO1ALOX15NPC1
SCHEMBL21995965 0.88 UGCG (0.38) ALDH1A1KMT2AALOX15NPC1SMN1; SMN2
SCHEMBL23780238 0.87 KMT2A (0.38) ALDH1A1KMT2AIDO1ALOX15NPC1
SCHEMBL24120154 0.86 IDO1 (0.34) ALDH1A1KMT2AIDO1ALOX15NPC1
SCHEMBL23780121 0.86 ALOX15 (0.40) ALDH1A1KMT2AIDO1ALOX15NPC1
SCHEMBL23780129 0.86 SCD5 (0.42) ALDH1A1KMT2AALOX15SMN1; SMN2HPGD
SCHEMBL23780144 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AIDO1ALOX15NPC1

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-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2026-03-17 US disclosed
EP-3840747-B1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-03-29 EP disclosed
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 US disclosed
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 US disclosed
EP-3840747-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-06-30 EP disclosed
WO-2020041100-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-27 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-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 ALDH1A1 512/4885KMT2A 1603/4885IDO1 1/4885
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU ALDH1A1 270/4885KMT2A 1461/4885IDO1 1/4885

“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.