SCHEMBL20187290

SCHEMBL20187290

Cn1nccc1[C@@H]1CCCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
HCAR2 Q8TDS4 2/20 0.42
SCD5 Q86SK9 6/20 0.41
RIPK1 Q13546 1/20 0.40
KDM4E B2RXH2 1/20 0.37
BLM P54132 1/20 0.37
ALOX15 P16050 1/20 0.37
SCD O00767 5/20 0.36
ROCK2 O75116 1/20 0.36
LMNA P02545 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL28887472 1.00 PRMT5 (0.52) PRMT5WDR77HCAR2SCD5RIPK1
SCHEMBL20202192 0.82 PRMT5 (0.50) PRMT5WDR77LMNA
SCHEMBL25913872 0.81 PRMT5 (0.62) PRMT5WDR77HCAR2SCD5
SCHEMBL165920 0.80 ROCK2 (0.48) PRMT5WDR77SCD5KDM4EROCK2
SCHEMBL12539281 0.75 PDE2A (0.46) HCAR2LMNA
SCHEMBL164337 0.75 ROCK2 (0.52) PRMT5WDR77KDM4EROCK2
SCHEMBL12539114 0.73 HCAR2 (0.45) PRMT5WDR77HCAR2SCD5KDM4E
SCHEMBL25913869 0.73 PRMT5 (0.52) PRMT5WDR77LMNA
SCHEMBL22473535 0.73 PRMT5 (0.41) PRMT5WDR77HCAR2LMNACHRNB2
SCHEMBL22473543 0.73 PRMT5 (0.41) PRMT5WDR77HCAR2LMNACHRNB2

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 PRMT5 756/4885WDR77 3203/4885HCAR2 983/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 PRMT5 756/4885WDR77 3203/4885HCAR2 983/4885

“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.