SCHEMBL13698207

SCHEMBL13698207

CCN1CCC(c2ccc(F)cc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 4/20 0.46
SLC6A4 P31645 4/20 0.46
GRM2 Q14416 3/20 0.44
OPRL1 P41146 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6924461 0.92 KDM4E (0.51) KDM4EL3MBTL1DRD2SLC6A4GRM2
SCHEMBL13975013 0.81 ACKR3 (0.45) DRD2SLC6A4GRM2OPRL1
SCHEMBL1824241 0.81 GRM2 (0.45) KDM4EDRD2SLC6A4GRM2OPRL1
SCHEMBL15763341 0.80 DRD3 (0.53) DRD2
SCHEMBL22415936 0.79 SIGMAR1 (0.43) DRD2SLC6A4GRM2OPRL1
SCHEMBL21148630 0.78 DRD3 (0.54) KDM4EDRD2
SCHEMBL15787991 0.78 DRD4 (0.47) KDM4EDRD2SLC6A4ALDH1A1
SCHEMBL1821076 0.78 GRM2 (0.41) GRM2OPRL1
SCHEMBL23291498 0.77 ALDH1A1 (0.45) KDM4EDRD2SLC6A4ALDH1A1
SCHEMBL13474730 0.77 PRCP (0.44) GRM2OPRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2012-11-29 US disclosed
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2009-09-17 US disclosed
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2007-04-12 US 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-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C KDM4E 778/4885L3MBTL1 3701/4885DRD2 35/4885
US-20070082940-A1 Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1B, HTR2C KDM4E 778/4885L3MBTL1 3701/4885DRD2 35/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C KDM4E 778/4885L3MBTL1 3701/4885DRD2 35/4885

“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.