SCHEMBL4839016

SCHEMBL4839016

CN1C[C@@H]2C[C@H]1CN2c1ccc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.56
KCNH2 Q12809 10/20 0.56
PARP1 P09874 2/20 0.53
HRH3 Q9Y5N1 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTR3B O95264 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
THPO P40225 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL7094041 1.00 CHRNA7 (0.56) CHRNA7KCNH2PARP1HRH3HTR3E
SCHEMBL4847239 0.81 CHRNA7 (0.46) CHRNA7KCNH2PARP1KDM4E
SCHEMBL4846555 0.76 ALDH1A1 (0.51) CHRNA7KCNH2PARP1HTR3EHTR3B
SCHEMBL4845936 0.74 KDM4E (0.45) CHRNA7KCNH2PARP1KDM4EALDH1A1
SCHEMBL18081170 0.74 CHRNA7 (0.63) CHRNA7KCNH2PARP1
SCHEMBL4839072 0.73 CSNK1E (0.49) PARP1
SCHEMBL4109510 0.71 CHRNA7 (1.00) CHRNA7KCNH2
SCHEMBL4109513 0.71 CHRNA7 (1.00) CHRNA7KCNH2
SCHEMBL6627648 0.71 CHRNA7 (1.00) CHRNA7KCNH2
SCHEMBL4109514 0.71 CHRNA7 (1.00) CHRNA7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329754-B2 2,5-diazabicyclo[2.2.1]heptane derivatives NEUROSEARCH A/S (DK) 2008-02-12 US claimed
EP-1368348-B1 NOVEL 2,5-DIAZABICYCLO(2.2.1)HEPTANE DERIVATIVES NEUROSEARCH AS (DK) 2005-01-19 EP claimed
US-20040181069-A1 Novel 2,5-diazabicyclo[2.2.1]heptane derivatives DANPET AB (SE) 2004-09-16 US claimed
EP-1368348-A1 NOVEL 2,5-DIAZABICYCLO(2.2.1)HEPTANE DERIVATIVES NEUROSEARCH A/S (DK) 2003-12-10 EP claimed
WO-2002070522-A1 NOVEL 2,5-DIAZABICYCLO[2.2.1]HEPTANE DERIVATIVES NEUROSEARCH A/S (DK) 2002-09-12 WO claimed
US-7329754-B2 2,5-diazabicyclo[2.2.1]heptane derivatives NEUROSEARCH A/S (DK) 2008-02-12 US disclosed
EP-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 EP disclosed
EP-1368348-B1 NOVEL 2,5-DIAZABICYCLO(2.2.1)HEPTANE DERIVATIVES NEUROSEARCH AS (DK) 2005-01-19 EP disclosed
US-20040181069-A1 Novel 2,5-diazabicyclo[2.2.1]heptane derivatives DANPET AB (SE) 2004-09-16 US disclosed
EP-1368348-A1 NOVEL 2,5-DIAZABICYCLO(2.2.1)HEPTANE DERIVATIVES NEUROSEARCH A/S (DK) 2003-12-10 EP disclosed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 WO disclosed
WO-2002070522-A1 NOVEL 2,5-DIAZABICYCLO[2.2.1]HEPTANE DERIVATIVES NEUROSEARCH A/S (DK) 2002-09-12 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-20040181069-A1 Novel 2,5-diazabicyclo[2.2.1]heptane derivatives CHRNA2, CHRNB2, CHRNA10 CHRNA7 11/4885KCNH2 918/4885PARP1 1579/4885

“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.