SCHEMBL21752702

SCHEMBL21752702

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCC(Oc4cccc(OC(F)(F)F)c4)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALOX15 P16050 1/20 0.39
NPC1 O15118 1/20 0.37
CNR1 P21554 2/20 0.36
SCN9A Q15858 1/20 0.35
MLNR O43193 2/20 0.35
PRKAA2 P54646 1/20 0.35
GPR6 P46095 1/20 0.35
OXTR P30559 1/20 0.35
IDO1 P14902 1/20 0.35
PIM1 P11309 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACACB O00763 1/20 0.34
KCNK3 O14649 1/20 0.34
MGLL Q99685 1/20 0.34
ABHD6 Q9BV23 1/20 0.34

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
SCHEMBL21752686 0.91 KMT2A (0.47) KMT2AALOX15NPC1CNR1ALDH1A1
SCHEMBL21752712 0.90 KMT2A (0.45) KMT2AALOX15CNR1MLNRIDO1
SCHEMBL23780241 0.90 ALOX15 (0.39) KMT2AALOX15NPC1IDO1PIM1
SCHEMBL31109381 0.90 ALOX15 (0.39) KMT2AALOX15NPC1IDO1PIM1
SCHEMBL21752493 0.89 KMT2A (0.45) KMT2AALOX15NPC1IDO1KDM4E
SCHEMBL32685323 0.89 KMT2A (0.45) KMT2ACNR1MLNRIDO1KDM4E
SCHEMBL21752729 0.89 KMT2A (0.45) KMT2ACNR1MLNRIDO1KDM4E
SCHEMBL21752495 0.88 KMT2A (0.51) KMT2AALOX15CNR1KDM4EALDH1A1
SCHEMBL21752570 0.88 ALOX15 (0.45) KMT2AALOX15CNR1OXTRIDO1
SCHEMBL21752511 0.86 KMT2A (0.47) KMT2AALOX15NPC1CNR1MLNR

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 KMT2A 1603/4885ALOX15 2799/4885NPC1 1706/4885
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU KMT2A 1461/4885ALOX15 525/4885NPC1 1705/4885

“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.