SCHEMBL1329573

SCHEMBL1329573

OC1(c2cccc(F)c2F)CNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.42
PDK2 Q15119 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
PDE7A Q13946 1/20 0.32

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
SCHEMBL30824567 1.00 HDAC4 (0.42) HDAC4PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL3115682 0.86 HDAC4 (0.42) HDAC4PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL27145459 0.84 OPRM1 (0.46) HDAC4PDK2OPRM1OPRD1OPRK1
SCHEMBL23231960 0.82 HDAC4 (0.50) HDAC4PDK2CES2BCHECES1
SCHEMBL15076841 0.81 SIGMAR1 (0.50) HDAC4PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL22778198 0.78 HDAC4 (0.51) HDAC4PDK2CES2BCHECES1
SCHEMBL828817 0.76 HDAC4 (0.45) HDAC4PDK2CES2BCHECES1
SCHEMBL1329993 0.73 SLC6A2 (0.37) HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL1331312 0.73 HDAC4 (0.40) HDAC4PDK2CES2BCHECES1
SCHEMBL10078307 0.72 OPRD1 (0.47) HDAC4OPRM1OPRD1OPRK1OPRL1

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-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 US disclosed
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 (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-20110281835-A1 NOVEL 3-PHENYL-AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION SLC6A2, SLC18A2, SLC6A3 HDAC4 4396/4885PDK2 2806/4885SLC6A2 1/4885
US-20110257148-A1 NOVEL 1-ALKYL-3-HYDROXY-3-PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION DBH, SLC6A3, ADRA2B HDAC4 4330/4885PDK2 4232/4885SLC6A2 5/4885
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT HDAC4 108/4885PDK2 157/4885SLC6A2 700/4885

“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.