SCHEMBL20187333

SCHEMBL20187333

Cc1cnn(C)c1C1CCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PRMT5 O14744 3/20 0.34
WDR77 Q9BQA1 3/20 0.34
MAP4K4 O95819 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALOX15 P16050 2/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 2/20 0.33
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
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL20187328 0.83 ALDH1A1 (0.45) ALDH1A1MEN1MAPTTSHRKMT2A
SCHEMBL20187290 0.72 PRMT5 (0.52) RIPK1PRMT5WDR77KDM4EALOX15
SCHEMBL28887472 0.72 PRMT5 (0.52) RIPK1PRMT5WDR77KDM4EALOX15
SCHEMBL29481542 0.72 RIPK1 (0.45) RIPK1CCNCCDK8ALDH1A1ITGB3
SCHEMBL20187340 0.71 KMT2A (0.38) RIPK1CCNCCDK8MAP4K4ALDH1A1
SCHEMBL15813622 0.70 RIPK1 (0.36) RIPK1CCNCCDK8ALDH1A1EPHX2
SCHEMBL28875722 0.70 ADAM17 (0.46) RIPK1CCNCCDK8KDM4EBLM
SCHEMBL20187358 0.70 ADAM17 (0.46) RIPK1CCNCCDK8KDM4EBLM
SCHEMBL5649142 0.69 RIPK1 (0.42) RIPK1KDM4EALDH1A1MAPTHSP90AA1
SCHEMBL5649137 0.69 RIPK1 (0.42) RIPK1KDM4EALDH1A1MAPTHSP90AA1

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
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.