SCHEMBL1329952

SCHEMBL1329952

CCN1CC(O)(c2ccc(F)c(F)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.39
SLC6A3 Q01959 6/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
DRD2 P14416 1/20 0.36
CCR2 P41597 1/20 0.34
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRM1 P11229 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 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
SCHEMBL3115576 0.88 KDM4E (0.44) SLC6A3SLC6A2SLC6A4DRD2KDM4E
SCHEMBL2461655 0.87 DRD2 (0.40) MC4RSLC6A3SLC6A2SLC6A4CHRNA1
SCHEMBL2457777 0.84 DRD2 (0.41) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL3859481 0.84 DRD2 (0.48) SLC6A2SLC6A4DRD2HSD11B1
SCHEMBL2462127 0.84 HSD17B10 (0.39) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL1329977 0.81 SLC6A3 (0.35) MC4RSLC6A3SLC6A2SLC6A4CHRNA1
SCHEMBL2460697 0.79 SLC6A3 (0.34) MC4RSLC6A3SLC6A2SLC6A4CHRNA1
SCHEMBL3111203 0.79 DRD2 (0.47) SLC6A3SLC6A2SLC6A4DRD2KDM4E
SCHEMBL2457287 0.78 SLC6A3 (0.35) MC4RSLC6A3SLC6A2SLC6A4CHRNA1
SCHEMBL1329688 0.77 HSD11B1 (0.33) MC4RSLC6A3SLC6A2CHRNA1CHRNG

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 MC4R 472/4885SLC6A3 3/4885SLC6A2 1/4885

“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.