SCHEMBL4847239

SCHEMBL4847239

CN1C[C@@H]2C[C@H]1CN2c1ccc2cc(N)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.46
KCNH2 Q12809 13/20 0.46
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42

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 0.81 CHRNA7 (0.56) CHRNA7KCNH2PARP1KDM4E
SCHEMBL4839016 0.81 CHRNA7 (0.56) CHRNA7KCNH2PARP1KDM4E
SCHEMBL4846555 0.79 ALDH1A1 (0.51) CHRNA7KCNH2PARP1LMNA
SCHEMBL4845936 0.77 KDM4E (0.45) CHRNA7KCNH2PARP1KDM4E
SCHEMBL5873493 0.77 MCHR1 (0.46) KCNH2KDM4ELMNAPOLBCASP6
SCHEMBL6559990 0.74 MCHR1 (0.43) KDM4ELMNAPOLBCASP6
SCHEMBL30912529 0.72 MAPT (0.45) CHRNA7KCNH2KDM4ELMNA
SCHEMBL13657915 0.72 MAPT (0.45) CHRNA7KCNH2KDM4ELMNA
SCHEMBL3413859 0.72 MAPT (0.45) CHRNA7KCNH2KDM4ELMNA
SCHEMBL30912434 0.72 MAPT (0.45) CHRNA7KCNH2KDM4ELMNA

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 10 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-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-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.