SCHEMBL6201717

SCHEMBL6201717

Clc1ccc(N2CC3CCC(CN(Cc4ccccc4)C3)C2)nn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.52
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
KMT2A Q03164 1/20 0.47
VEGFA P15692 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 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
SCHEMBL6202173 0.95 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4KMT2AVEGFA
SCHEMBL6202242 0.92 CHRNA7 (0.55) CHRNA7CHRNB2CHRNA4KMT2AVEGFA
SCHEMBL6204569 0.87 CHRNA7 (0.48) CHRNA7CHRNB2CHRNA4KMT2AVEGFA
SCHEMBL6204006 0.87 CHRNA7 (0.48) CHRNA7CHRNB2CHRNA4KMT2AVEGFA
SCHEMBL6202941 0.79 FUCA1 (0.60) CYP1A2
SCHEMBL7146756 0.79 VEGFA (0.63) VEGFAEGLN1LMNAHTTCYP1A2
SCHEMBL6202179 0.76 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3
SCHEMBL31387789 0.74 CTSL (0.48) CHRNA7CHRNB2CHRNA4KMT2AVEGFA
SCHEMBL21793950 0.72 FUCA1 (0.56) CYP1A2
SCHEMBL21793953 0.72 FUCA1 (0.56) CYP1A2

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-1397365-B1 HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH AS (DK) 2005-02-16 EP claimed
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.