SCHEMBL20187309

SCHEMBL20187309

COc1nn(Cc2ccccc2)cc1C=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 3/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 3/20 0.54
DUSP3 P51452 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
PLK1 P53350 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP19A1 P11511 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
SCHEMBL5376994 0.84 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL717272 0.80 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL5372207 0.79 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL20187351 0.78 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL27600423 0.77 LMNA (0.44) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL11154472 0.77 KMT2A (0.43) ALDH1A1KMT2ACYP19A1ADORA3
SCHEMBL3532926 0.77 KMT2A (0.60) LMNAALDH1A1L3MBTL1GAAKMT2A
SCHEMBL8887376 0.76 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL6036134 0.75 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL15554985 0.75 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ANPC1LMNAMAPT

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 8 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
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

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 SMN1; SMN2 1454/4885RAB9A 267/4885NPC1 2458/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 SMN1; SMN2 1454/4885RAB9A 267/4885NPC1 2458/4885

“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.