SCHEMBL20187319

SCHEMBL20187319

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.56
OPRK1 P41145 8/20 0.53
OPRM1 P35372 7/20 0.53
OPRD1 P41143 7/20 0.53
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
PARP15 Q460N3 2/20 0.46
PARP14 Q460N5 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
ICAM1 P05362 1/20 0.45
SELE P16581 1/20 0.45
VCAM1 P19320 1/20 0.45
MAOB P27338 1/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44

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
SCHEMBL20187294 0.87 PARP10 (0.55) PARP10OPRK1OPRM1OPRD1SLC6A2
SCHEMBL21628562 0.87 PARP10 (0.55) PARP10OPRK1OPRM1OPRD1SLC6A2
SCHEMBL3024115 0.85 PARP10 (0.67) PARP10OPRK1OPRM1OPRD1SLC6A2
SCHEMBL21628476 0.85 OPRK1 (0.53) PARP10OPRK1OPRM1OPRD1SLC6A2
SCHEMBL27245278 0.84 PARP10 (0.62) PARP10OPRK1OPRM1OPRD1SLC6A2
SCHEMBL21628641 0.83 S1PR1 (0.55) PARP10OPRK1OPRM1OPRD1SLC6A2
SCHEMBL21628730 0.82 PARP10 (0.59) PARP10OPRK1OPRM1OPRD1SLC6A2
SCHEMBL26214383 0.82 PARP10 (0.63) PARP10OPRK1OPRM1OPRD1SLC6A2
SCHEMBL30289581 0.82 PARP10 (0.67) PARP10OPRK1OPRM1OPRD1PARP15
SCHEMBL21628639 0.82 S1PR1 (0.52) PARP10OPRK1OPRM1OPRD1ICAM1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348377-A1 PURE FORMS OF CRYSTALLINE ATICAPRANT Janssen Pharmaceuticals, Inc. 2023-11-02 US disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230348377-A1 PURE FORMS OF CRYSTALLINE ATICAPRANT ATIC, ADORA1, ADORA2A PARP10 4198/4885OPRK1 1387/4885OPRM1 1523/4885
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.