SCHEMBL4845936

SCHEMBL4845936

CC(=O)Nc1ccc2nc(N3C[C@@H]4C[C@H]3CN4C)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
RUNX1 Q01196 1/20 0.45
CBFB Q13951 1/20 0.45
MCHR1 Q99705 5/20 0.44
HTR1A P08908 1/20 0.43
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
PARP1 P09874 2/20 0.42
CHRNA7 P36544 4/20 0.41
KCNH2 Q12809 3/20 0.41

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
SCHEMBL4847239 0.77 CHRNA7 (0.46) KDM4EPARP1CHRNA7KCNH2
SCHEMBL4846555 0.75 ALDH1A1 (0.51) HTR1APARP1CHRNA7KCNH2ALDH1A1
SCHEMBL5873534 0.68 MCHR1 (0.56) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL5873663 0.68 MCHR1 (0.63) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL2175124 0.68 NPC1 (0.67) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL17432454 0.68 KDM4E (0.65) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL5873575 0.68 MCHR1 (0.55) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL5873688 0.68 MCHR1 (0.55) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL5873704 0.68 MCHR1 (0.62) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL5873481 0.68 MCHR1 (0.55) MEN1NPC1RAB9AKMT2AMCHR1

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 KDM4E 3292/4885MEN1 3420/4885NPC1 1227/4885

“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.