SCHEMBL3389755

SCHEMBL3389755

CN1C2CCC1CN(c1cccc(Br)n1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
ALOX5 P09917 2/20 0.43
MAP4K1 Q92918 1/20 0.40
HTR3E A5X5Y0 4/20 0.38
HTR3B O95264 4/20 0.38
HTR3A P46098 4/20 0.38
HTR3D Q70Z44 4/20 0.38
HTR3C Q8WXA8 4/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MEN1 O00255 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
SCHEMBL3570950 0.94 GRIN2B (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5832674 0.91 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31383621 0.82 ALOX5 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31469904 0.82 ALOX5 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30880833 0.77 MAP4K1 (0.38) MAP4K1HTR3EHTR3BHTR3AHTR3D
SCHEMBL22552077 0.77 MAP4K1 (0.38) MAP4K1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30880727 0.77 CTSS (0.46) MAP4K1HTR3EHTR3BHTR3AHTR3D
SCHEMBL22551890 0.77 CTSS (0.46) MAP4K1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3387322 0.77 MEN1 (0.43) MAP4K1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6379561 0.76 GRIN2B (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805183-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-12-29 EP disclosed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US disclosed
EP-1805183-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-07-11 EP disclosed
WO-2006045716-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-05-04 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-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use CHRNA6, CHRNA10, CHRNA2 GRIN2D 554/4885GRIN3B 286/4885GRIN1 412/4885

“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.