SCHEMBL3387322

SCHEMBL3387322

CN1C2CCC1CN(c1cccc(-c3ccccc3)n1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNA7 P36544 2/20 0.43
HTR3A P46098 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
PDE10A Q9Y233 3/20 0.41
MAP4K1 Q92918 1/20 0.40
USP30 Q70CQ3 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL928191 0.79 CHRNA7 (0.68) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL3389755 0.77 GRIN2D (0.44) MEN1KMT2AHTR3ADRD2DRD3
SCHEMBL22551890 0.77 CTSS (0.46) HTR3AMAP4K1HTR3EHTR3BHTR3D
SCHEMBL30880727 0.77 CTSS (0.46) HTR3AMAP4K1HTR3EHTR3BHTR3D
SCHEMBL1449402 0.74 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL2676639 0.74 CHRNA7 (0.64) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL3387305 0.73 CHRNA7 (0.56) CHRNA7HTR3ACHRNB4CHRNA3HTR1A
SCHEMBL22552077 0.73 MAP4K1 (0.38) MEN1KMT2AHTR3APDE10AMAP4K1
SCHEMBL30880833 0.73 MAP4K1 (0.38) MEN1KMT2AHTR3APDE10AMAP4K1
SCHEMBL3537832 0.73 HRH3 (0.61) RAB9AHTR3AHTR1AHTR2CHTR7

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 8 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 claimed
US-20080153806-A1 Novel Diazabicyclic Aryl Derivatives And Their Medical Use NEUROSEARCH A/S (DK) 2008-06-26 US claimed
EP-1805183-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2007-07-11 EP claimed
WO-2006045716-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-05-04 WO claimed
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 MEN1 4176/4885RAB9A 2853/4885KMT2A 2086/4885

“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.