SCHEMBL20168877

SCHEMBL20168877

O=C(O)N1CC(Oc2cc(F)cc(F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.47
CHRM3 P20309 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
EPHX2 P34913 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCD O00767 2/20 0.38
RBP4 P02753 1/20 0.38
CYP1A2 P05177 1/20 0.37
SCN9A Q15858 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL22265669 0.87 PIK3CD (0.45) RIPK1CHRM3GRIN1GRIN2BEPHX2
SCHEMBL28694105 0.87 PIK3CD (0.45) RIPK1CHRM3GRIN1GRIN2BEPHX2
SCHEMBL22265757 0.87 PIK3CD (0.45) RIPK1CHRM3GRIN1GRIN2BEPHX2
SCHEMBL20165827 0.85 RIPK1 (0.38) RIPK1LIPGFFAR4SCDRBP4
SCHEMBL26597825 0.84 MGLL (0.49) RIPK1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL23365224 0.83 FFAR4 (0.44) CHRM3EPHX2FFAR4OPRM1OPRK1
SCHEMBL21814081 0.83 ABHD6 (0.50) RIPK1GRIN1GRIN2BLIPGSCD
SCHEMBL16422271 0.83 LIPG (0.50) RIPK1GRIN1GRIN2BEPHX2LIPG
SCHEMBL20165884 0.81 RIPK1 (0.38) RIPK1GRIN1GRIN2BLIPGSCD
SCHEMBL20912819 0.80 RIPK1 (0.36) RIPK1GRIN1GRIN2BLIPGFFAR4

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-3541784-B1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2023-09-13 EP disclosed
WO-2021097240-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
US-10875829-B1 Azetidine derivatives useful as modulators of cortical catecholaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2020-12-29 US disclosed
EP-3541784-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2019-09-25 EP disclosed
WO-2018091687-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-05-24 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 (1 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-10875829-B1 Azetidine derivatives useful as modulators of cortical catecholaminergic neurotransmission SLC18A1, CHRM1, CHRM2 RIPK1 4852/4885CHRM3 20/4885GRIN1 498/4885

“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.