SCHEMBL21752684

SCHEMBL21752684

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCC(Oc4ccccc4F)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.39
CNR1 P21554 2/20 0.37
UGCG Q16739 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
TRPA1 O75762 1/20 0.35
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL21752480 0.93 KMT2A (0.41) ALOX15KMT2AHPGDCNR1UGCG
SCHEMBL23959703 0.93 ALOX15 (0.42) ALOX15KMT2AHPGDCNR1UGCG
SCHEMBL21752680 0.92 KMT2A (0.40) ALOX15KMT2AHPGDCNR1UGCG
SCHEMBL21752554 0.92 KMT2A (0.41) ALOX15KMT2AUGCGGRIN2B
SCHEMBL21752477 0.92 KMT2A (0.43) ALOX15KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL21752459 0.91 KMT2A (0.43) ALOX15KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL21752551 0.90 SCD (0.44) ALOX15KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL21752494 0.90 KMT2A (0.41) ALOX15KMT2AHPGDCNR1UGCG
SCHEMBL21752570 0.90 ALOX15 (0.45) ALOX15KMT2ACNR1SMN1; SMN2IDO1
SCHEMBL21752463 0.90 ALOX15 (0.47) ALOX15KMT2A

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 9 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 claimed
EP-3840747-B1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-03-29 EP claimed
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 US claimed
EP-3840747-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-06-30 EP claimed
WO-2020041100-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-27 WO claimed
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

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 ALOX15 2799/4885KMT2A 1603/4885HPGD 117/4885
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU ALOX15 525/4885KMT2A 1461/4885HPGD 41/4885

“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.