SCHEMBL20187339

SCHEMBL20187339

COc1n[nH]cc1C1CCCN1C(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ ROCK2 O75116 8/20 0.37
▸ SCD5 Q86SK9 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 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
SCHEMBL23501031 0.78 NTRK1 (0.49) RIPK1
SCHEMBL23501030 0.78 NTRK1 (0.49) RIPK1
SCHEMBL20187344 0.72 RIPK1 (0.43) RIPK1HSD11B1SCD5HSP90AA1HSP90AB1
SCHEMBL23064471 0.68 PPID (0.48) RIPK1SCD5HSP90AA1HSP90AB1
SCHEMBL28537451 0.68 PPID (0.48) RIPK1SCD5HSP90AA1HSP90AB1
SCHEMBL24993318 0.67 RIPK1 (0.47) RIPK1
SCHEMBL1576663 0.66 RIPK1 (0.73) RIPK1HSD11B1SCD5HSP90AA1HSP90AB1
SCHEMBL21513601 0.66 RIPK1 (0.49) RIPK1HSP90AA1HSP90AB1
SCHEMBL28535098 0.66 RIPK1 (0.46) RIPK1HSD11B1HSP90AA1HSP90AB1
SCHEMBL29747012 0.66 RIPK1 (0.49) RIPK1HSP90AA1HSP90AB1

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
EP-3544972-B1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER (US) 2023-04-26 — — EP disclosed
CN-110234638-B Heteroaryl phenoxy benzamide KAPPA opioid ligands 辉瑞大药厂 2022-10-21 — — CN disclosed
EP-3544972-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS Pfizer Inc (US) 2019-10-02 — — EP disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 — — US disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 — — US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 — — US disclosed
WO-2018096510-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 — — WO disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 — — 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-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands OPRK1, OPRD1, OPRM1 RIPK1 2247/4885HSD11B1 1870/4885ROCK2 3057/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 RIPK1 2247/4885HSD11B1 1870/4885ROCK2 3057/4885

“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.

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