SCHEMBL20187340

SCHEMBL20187340

Cc1cn(C)nc1C1CCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 1/20 0.37
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 3/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MAPK1 P28482 1/20 0.35
MGLL Q99685 1/20 0.35
MAP4K4 O95819 1/20 0.34
PROKR1 Q8TCW9 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGA4 P13612 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL20187322 0.83 ALDH1A1 (0.45) KMT2AGAAALDH1A1LMNATSHR
SCHEMBL20187323 0.80 KMT2A (0.43) KMT2ARIPK1HSP90AA1HSP90AB1CCNC
SCHEMBL28887425 0.80 KMT2A (0.43) KMT2ARIPK1HSP90AA1HSP90AB1CCNC
SCHEMBL20187314 0.80 KMT2A (0.43) KMT2ARIPK1HSP90AA1HSP90AB1CCNC
SCHEMBL28875722 0.72 ADAM17 (0.46) RIPK1CCNCCDK8MGLL
SCHEMBL20187358 0.72 ADAM17 (0.46) RIPK1CCNCCDK8MGLL
SCHEMBL29481542 0.72 RIPK1 (0.45) RIPK1HSP90AA1HSP90AB1CCNCCDK8
SCHEMBL20187333 0.71 RIPK1 (0.37) KMT2ARIPK1HSP90AA1HSP90AB1CCNC
SCHEMBL5649142 0.69 RIPK1 (0.42) RIPK1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL5649137 0.69 RIPK1 (0.42) RIPK1HSP90AA1HSP90AB1ALDH1A1

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 5 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
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-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

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 KMT2A 1346/4885RIPK1 2247/4885HSP90AA1 2035/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 KMT2A 1346/4885RIPK1 2247/4885HSP90AA1 2035/4885

“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.