SCHEMBL20187368

SCHEMBL20187368

Cc1nc([C@@H]2CCCN2C(=O)O)ns1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HCRTR1 O43613 10/20 0.33
HCRTR2 O43614 10/20 0.33
MAPK1 P28482 1/20 0.33
CPT1A P50416 1/20 0.32
AADAT Q8N5Z0 2/20 0.32

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
SCHEMBL28887421 1.00 RIPK1 (0.35) RIPK1CCNCCDK8HCRTR1HCRTR2
SCHEMBL28887450 0.84 SCD5 (0.34) RIPK1HCRTR1HCRTR2CPT1A
SCHEMBL20187292 0.84 SCD5 (0.34) RIPK1HCRTR1HCRTR2CPT1A
SCHEMBL5648354 0.72 AADAT (0.42) CPT1AAADAT
SCHEMBL5648347 0.72 AADAT (0.42) CPT1AAADAT
SCHEMBL5649142 0.70 RIPK1 (0.42) RIPK1HCRTR1HCRTR2CPT1A
SCHEMBL29481542 0.70 RIPK1 (0.45) RIPK1CCNCCDK8MAPK1
SCHEMBL5649137 0.70 RIPK1 (0.42) RIPK1HCRTR1HCRTR2CPT1A
SCHEMBL475512 0.70 TRPV1 (0.46) CPT1A
SCHEMBL5645605 0.70 TRPV1 (0.46) CPT1A

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 6 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
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 2247/4885CCNC 3702/4885CDK8 2155/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 RIPK1 2247/4885CCNC 3702/4885CDK8 2155/4885

“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.