SCHEMBL21752709

SCHEMBL21752709

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCC(Oc4cccc5ccccc45)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALOX15 P16050 2/20 0.41
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
POLB P06746 2/20 0.36
CYP2C19 P33261 1/20 0.35
BTK Q06187 1/20 0.35
IDO1 P14902 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
SCHEMBL30352861 1.00 KMT2A (0.41) KMT2AALOX15HCRTR1HCRTR2SMN1; SMN2
SCHEMBL21752728 0.92 HCRTR1 (0.42) KMT2AALOX15HCRTR1HCRTR2SMN1; SMN2
SCHEMBL30352902 0.92 HCRTR1 (0.42) KMT2AALOX15HCRTR1HCRTR2SMN1; SMN2
SCHEMBL21752477 0.90 KMT2A (0.43) KMT2AALOX15SMN1; SMN2ALDH1A1IDO1
SCHEMBL21752684 0.89 ALOX15 (0.43) KMT2AALOX15SMN1; SMN2MEN1ALDH1A1
SCHEMBL21752551 0.89 SCD (0.44) KMT2AALOX15SMN1; SMN2MEN1
SCHEMBL21752594 0.89 KMT2A (0.42) KMT2AALOX15SMN1; SMN2MEN1ALDH1A1
SCHEMBL21752662 0.88 KMT2A (0.41) KMT2AALOX15SMN1; SMN2MEN1ALDH1A1
SCHEMBL21752635 0.88 KMT2A (0.41) KMT2AALOX15SMN1; SMN2MEN1ALDH1A1
SCHEMBL21752460 0.88 ALOX15 (0.42) KMT2AALOX15SMN1; SMN2MEN1ALDH1A1

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 8 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
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 2799/4885HCRTR1 68/4885
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU KMT2A 1461/4885ALOX15 525/4885HCRTR1 630/4885

“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.