SCHEMBL1329993

SCHEMBL1329993

COC1(c2cccc(F)c2F)CNC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 2/20 0.37
HDAC4 P56524 1/20 0.36
ATM Q13315 1/20 0.31
HTR1A P08908 2/20 0.31

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
Pirepemat SCHEMBL30149941 0.87 HDAC4 (0.36) SLC6A2SLC6A4SLC6A3HDAC4HTR1A
Pirepemat SCHEMBL30149945 0.87 HDAC4 (0.36) SLC6A2SLC6A4SLC6A3HDAC4HTR1A
Pirepemat SCHEMBL20563768 0.87 HDAC4 (0.36) SLC6A2SLC6A4SLC6A3HDAC4HTR1A
Pirepemat SCHEMBL30149946 0.87 HDAC4 (0.36) SLC6A2SLC6A4SLC6A3HDAC4HTR1A
Pirepemat SCHEMBL2421535 0.87 HDAC4 (0.36) SLC6A2SLC6A4SLC6A3HDAC4HTR1A
Pirepemat SCHEMBL28355846 0.80 HDAC4 (0.40) SLC6A2SLC6A4SLC6A3HDAC4
Pirepemat SCHEMBL28959986 0.80 HDAC4 (0.37) SLC6A2SLC6A4SLC6A3HDAC4
Pirepemat SCHEMBL28883051 0.77 HDAC4 (0.38) SLC6A2SLC6A4SLC6A3HDAC4ATM
SCHEMBL1329710 0.74 HDAC4 (0.33) HDAC4
SCHEMBL1329573 0.73 HDAC4 (0.42) SLC6A2SLC6A4SLC6A3HDAC4

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
US-8586572-B2 3-phenyl-azetidine derivatives useful as modulators of cortical catecholaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2013-11-19 US claimed
US-20110281835-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-11-17 US claimed
EP-2367785-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP claimed
WO-2010058017-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 WO claimed
EP-2367785-B1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-10-15 EP disclosed
US-8586572-B2 3-phenyl-azetidine derivatives useful as modulators of cortical catecholaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2013-11-19 US disclosed
US-20110281835-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-11-17 US disclosed
EP-2367785-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed
WO-2010058017-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 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-20110281835-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION SLC6A2, SLC18A2, SLC6A3 SLC6A2 1/4885SLC6A4 40/4885SLC6A3 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.