SCHEMBL6204569

SCHEMBL6204569

Clc1ccc(N2CC3CCN(Cc4ccccc4)CC(C3)C2)nn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.48
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
BACE1 P56817 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CXCR3 P49682 1/20 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
SCHEMBL6204006 0.93 CHRNA7 (0.48) CHRNA7CHRNB2CHRNA4VEGFAEGLN1
SCHEMBL6202242 0.92 CHRNA7 (0.55) CHRNA7CHRNB2CHRNA4VEGFAEGLN1
SCHEMBL6201717 0.87 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4VEGFAEGLN1
SCHEMBL6202173 0.85 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4VEGFAEGLN1
SCHEMBL6202706 0.80 ACHE (0.56) CYP1A2CYP3A4CYP2D6CYP2C19ACHE
SCHEMBL6202179 0.78 CHRNA7 (0.65) CHRNA7ACHECHRNB4CHRNA3
SCHEMBL7146756 0.77 VEGFA (0.63) VEGFAEGLN1LMNAHTTCYP1A2
SCHEMBL6201186 0.72 HRH3 (0.43) CHRNA7CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL5750271 0.72 FUCA1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19ACHE
SCHEMBL21793950 0.72 FUCA1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators NEUROSEARCH A/S (DK) 2004-07-29 US claimed
EP-1397365-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NeuroSearch A/S (DK) 2004-03-17 EP claimed
WO-2002096911-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH A/S (DK) 2002-12-05 WO claimed
EP-1397365-B1 HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH AS (DK) 2005-02-16 EP disclosed
US-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators NEUROSEARCH A/S (DK) 2004-07-29 US disclosed
EP-1397365-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NeuroSearch A/S (DK) 2004-03-17 EP disclosed
WO-2002096911-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH A/S (DK) 2002-12-05 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-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators CHRNA3, CHRNA5, CHRNA2 CHRNA7 5/4885CHRNB2 9/4885CHRNA4 6/4885

“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.