SCHEMBL20187294

SCHEMBL20187294

NC(=O)c1ccc(Oc2ccc(CCl)cc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.55
OPRK1 P41145 10/20 0.54
OPRM1 P35372 9/20 0.54
OPRD1 P41143 8/20 0.54
SLC6A4 P31645 2/20 0.45
KCNH2 Q12809 2/20 0.45
HTR2A P28223 1/20 0.45
SLC6A2 P23975 1/20 0.45
PARP15 Q460N3 2/20 0.45
PARP14 Q460N5 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
MAOB P27338 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
SCN9A Q15858 1/20 0.42

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
SCHEMBL20187319 0.87 PARP10 (0.56) PARP10OPRK1OPRM1OPRD1SLC6A4
SCHEMBL21628562 0.86 PARP10 (0.55) PARP10OPRK1OPRM1OPRD1SLC6A4
SCHEMBL3024115 0.84 PARP10 (0.67) PARP10OPRK1OPRM1OPRD1SLC6A4
SCHEMBL21628476 0.84 OPRK1 (0.53) PARP10OPRK1OPRM1OPRD1SLC6A4
SCHEMBL27245278 0.82 PARP10 (0.62) PARP10OPRK1OPRM1OPRD1SLC6A4
SCHEMBL25831329 0.82 OPRK1 (0.62) PARP10OPRK1OPRM1OPRD1KCNH2
SCHEMBL21628641 0.82 S1PR1 (0.55) PARP10OPRK1OPRM1OPRD1SLC6A4
SCHEMBL21628730 0.81 PARP10 (0.59) PARP10OPRK1OPRM1OPRD1SLC6A4
SCHEMBL26214383 0.81 PARP10 (0.63) PARP10OPRK1OPRM1OPRD1SLC6A4
SCHEMBL30289581 0.81 PARP10 (0.67) PARP10OPRK1OPRM1OPRD1KCNH2

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 9 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-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
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 PARP10 1704/4885OPRK1 1/4885OPRM1 3/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 PARP10 1704/4885OPRK1 1/4885OPRM1 3/4885

“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.