SCHEMBL21752600

SCHEMBL21752600

Cc1cc(F)ccc1OC1CCN(C(=O)Cn2nc(C(=O)N3CCC(F)(CO)CC3)c3c2CCCC3)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.38
CCR3 P51677 3/20 0.38
TMEM97 Q5BJF2 2/20 0.36
ALOX15 P16050 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
GRIN2B Q13224 3/20 0.34
CNR1 P21554 1/20 0.34
GPR6 P46095 6/20 0.33
UGCG Q16739 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
SCHEMBL21752603 0.99 TMEM97 (0.38) HRH1CCR3TMEM97ALOX15SIGMAR1
SCHEMBL21752639 0.98 ALOX15 (0.38) HRH1CCR3TMEM97ALOX15SIGMAR1
SCHEMBL21752710 0.92 ALOX15 (0.41) TMEM97ALOX15SIGMAR1CNR1
SCHEMBL21752580 0.90 ALOX15 (0.42) ALOX15SIGMAR1CNR1
SCHEMBL21752503 0.90 HRH1 (0.40) HRH1CCR3TMEM97ALOX15SIGMAR1
SCHEMBL21752658 0.89 HRH1 (0.39) HRH1CCR3TMEM97ALOX15SIGMAR1
SCHEMBL21752478 0.88 ALOX15 (0.41) HRH1CCR3TMEM97ALOX15GRIN2B
SCHEMBL21752467 0.88 HRH1 (0.38) HRH1CCR3TMEM97ALOX15SIGMAR1
SCHEMBL21765009 0.88 HRH1 (0.38) HRH1CCR3TMEM97SIGMAR1GPR6
SCHEMBL23959552 0.88 GRIN2B (0.43) HRH1CCR3ALOX15GRIN2BGPR6

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 HRH1 114/4885CCR3 164/4885TMEM97 3623/4885
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU HRH1 385/4885CCR3 1229/4885TMEM97 3914/4885

“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.