SCHEMBL1331202

SCHEMBL1331202

OC1(c2ccc(F)c(F)c2)CNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.46
SLC6A2 P23975 5/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRND Q07001 1/20 0.46
DRD2 P14416 2/20 0.40
SLC6A4 P31645 5/20 0.40
CCR2 P41597 1/20 0.35
REN P00797 4/20 0.33
CYP3A4 P08684 4/20 0.33
KCNH2 Q12809 4/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL3107459 0.85 DRD2 (0.47) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL533971 0.85 DRD2 (0.59) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL22616883 0.83 DRD2 (0.58) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL23215170 0.81 SLC6A3 (0.47) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL17186929 0.78 SLC6A3 (0.49) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL4018826 0.77 DRD2 (0.44) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL15277102 0.76 SLC6A3 (0.56) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL23231379 0.76 SLC6A3 (0.46) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL6367289 0.75 DRD2 (0.42) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL9923528 0.74 SLC6A4 (0.48) SLC6A3SLC6A2CHRNA1CHRNB1CHRNB2

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-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
EP-2367786-B1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2013-01-09 EP 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
US-20110257148-A1 NOVEL 1-ALKYL-3-HYDROXY-3-PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-10-20 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
EP-2367786-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE 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
WO-2010058020-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE 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 (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-20110281835-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION SLC6A2, SLC18A2, SLC6A3 SLC6A3 3/4885SLC6A2 1/4885CHRNA1 66/4885
US-20110257148-A1 NOVEL 1-ALKYL-3-HYDROXY-3-PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION DBH, SLC6A3, ADRA2B SLC6A3 2/4885SLC6A2 5/4885CHRNA1 177/4885

“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.