SCHEMBL21752645

SCHEMBL21752645

Cc1cc(OC2CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
GRIN2B Q13224 7/20 0.38
CNR1 P21554 1/20 0.36
HRH3 Q9Y5N1 5/20 0.36
ALOX15 P16050 1/20 0.36
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 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
SCHEMBL21752511 0.94 KMT2A (0.47) KMT2AGRIN2BCNR1HRH3ALOX15
SCHEMBL32685318 0.94 KMT2A (0.47) KMT2AGRIN2BCNR1HRH3ALOX15
SCHEMBL21752530 0.93 KMT2A (0.49) KMT2AHRH3ALOX15KCNH2MCHR1
SCHEMBL21752694 0.91 KMT2A (0.46) KMT2ACNR1ALOX15
SCHEMBL21752552 0.91 KMT2A (0.47) KMT2AHRH3KCNH2MCHR1
SCHEMBL21752685 0.90 KMT2A (0.47) KMT2ACNR1HRH3ALOX15KCNH2
SCHEMBL32685319 0.90 KMT2A (0.47) KMT2ACNR1HRH3ALOX15KCNH2
SCHEMBL21752604 0.90 KMT2A (0.52) KMT2AALOX15KCNH2MCHR1
SCHEMBL21752712 0.89 KMT2A (0.45) KMT2ACNR1HRH3ALOX15
SCHEMBL21752538 0.89 KMT2A (0.48) KMT2AHRH3ALOX15

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 1603/4885HCRTR1 68/4885HCRTR2 73/4885
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU KMT2A 1461/4885HCRTR1 630/4885HCRTR2 464/4885

“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.