SCHEMBL21752640

SCHEMBL21752640

C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCC(Oc4cccc(C(F)(F)F)c4F)CC3)c3c2CCC3)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.39
SCD O00767 8/20 0.39
GRIN2B Q13224 3/20 0.37
UGCG Q16739 1/20 0.35
RBP4 P02753 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 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
SCHEMBL21752463 0.93 ALOX15 (0.47) ALOX15KMT2ASCD
SCHEMBL21752548 0.92 ALOX15 (0.43) ALOX15KMT2ASCDUGCGSMN1; SMN2
SCHEMBL21752582 0.90 CNR1 (0.41) ALOX15KMT2ASCDSMN1; SMN2CNR1
SCHEMBL32685321 0.90 CNR1 (0.41) ALOX15KMT2ASCDSMN1; SMN2CNR1
SCHEMBL23780179 0.88 RBP4 (0.43) ALOX15GRIN2BRBP4
SCHEMBL31109321 0.88 RBP4 (0.43) ALOX15GRIN2BRBP4
SCHEMBL21752684 0.88 ALOX15 (0.43) ALOX15KMT2AGRIN2BUGCGSMN1; SMN2
SCHEMBL21752570 0.87 ALOX15 (0.45) ALOX15KMT2ASCDSMN1; SMN2CNR1
SCHEMBL21752480 0.87 KMT2A (0.41) ALOX15KMT2ASCDUGCGSMN1; SMN2
SCHEMBL21752521 0.87 KMT2A (0.42) ALOX15KMT2ASCDGRIN2BUGCG

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
US-12576087-B2 Aryloxypiperidine pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2026-03-17 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
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 1603/4885SCD 2656/4885
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU ALOX15 525/4885KMT2A 1461/4885SCD 1524/4885

“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.