SCHEMBL21752519

SCHEMBL21752519

Cc1cc(F)ccc1OC1CCN(C(=O)Cn2nc(C(=O)N3CC[C@H](O)[C@H](F)C3)c3c2CCCC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
HRH1 P35367 3/20 0.38
CCR3 P51677 3/20 0.38
ALOX15 P16050 1/20 0.36
GRIN2B Q13224 2/20 0.34
OXTR P30559 2/20 0.34
AVPR1A P37288 1/20 0.34
GPR6 P46095 5/20 0.34
KMT2A Q03164 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
UGCG Q16739 1/20 0.34
CFD P00746 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL21752520 1.00 IDO1 (0.47) IDO1HRH1CCR3ALOX15GRIN2B
SCHEMBL21752590 0.92 IDO1 (0.52) IDO1ALOX15KMT2ACFDSIGMAR1
SCHEMBL21752534 0.92 IDO1 (0.52) IDO1ALOX15KMT2ACFDSIGMAR1
SCHEMBL21752469 0.92 IDO1 (0.52) IDO1ALOX15KMT2ACFDSIGMAR1
SCHEMBL21752602 0.90 IDO1 (0.52) IDO1ALOX15KMT2ACFD
SCHEMBL21752734 0.90 IDO1 (0.52) IDO1ALOX15KMT2ACFD
SCHEMBL21752625 0.90 IDO1 (0.52) IDO1ALOX15KMT2ACFD
SCHEMBL21752503 0.88 HRH1 (0.40) IDO1HRH1CCR3ALOX15GRIN2B
SCHEMBL23959552 0.87 GRIN2B (0.43) HRH1CCR3ALOX15GRIN2BGPR6
SCHEMBL21752658 0.87 HRH1 (0.39) IDO1HRH1CCR3ALOX15GRIN2B

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 IDO1 1/4885HRH1 114/4885CCR3 164/4885
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885HRH1 385/4885CCR3 1229/4885

“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.