SCHEMBL3548034

SCHEMBL3548034

CN1C2CCC1CN(c1ccc(C#Cc3ccc4[nH]ccc4c3)nn1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.47
KCNH2 Q12809 5/20 0.41
GFER P55789 1/20 0.38
GRIN1 Q05586 1/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
GRM5 P41594 2/20 0.35
OGA O60502 1/20 0.35
APP P05067 1/20 0.34
CSNK1D P48730 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
MTOR P42345 1/20 0.33
PDE8B O95263 1/20 0.32

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
SCHEMBL1449643 0.96 CHRNA7 (0.46) CHRNA7KCNH2GFERGRIN1IMPDH2
SCHEMBL5441918 0.81 CHRNA7 (0.40) CHRNA7KCNH2GFERGRIN1IMPDH2
SCHEMBL2944661 0.80 CHRNA7 (0.67) CHRNA7KCNH2
SCHEMBL1023811 0.78 GRM5 (0.41) GRM5APP
SCHEMBL1021484 0.77 GRM5 (0.54) CHRNA7GRM5
SCHEMBL3549772 0.77 GFER (0.41) CHRNA7KCNH2GFERGRIN1IMPDH2
SCHEMBL1397905 0.75 CHRNA7 (0.71) CHRNA7KCNH2CSNK1DMAPK11MAPK14
SCHEMBL1449960 0.75 CHRNA7 (0.71) CHRNA7KCNH2CSNK1DMAPK11MAPK14
SCHEMBL1450676 0.73 GRM5 (0.44) GRM5
SCHEMBL1449611 0.73 GRM5 (0.55) CHRNA7GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662812-B2 Diazabicyclic aryl derivatives and their use as chinolinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2010-02-16 US claimed
US-20080146582-A1 disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances NEUROSEARCH A/S (DK) 2008-06-19 US claimed
US-7662812-B2 Diazabicyclic aryl derivatives and their use as chinolinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2010-02-16 US disclosed
US-20080146582-A1 disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances NEUROSEARCH A/S (DK) 2008-06-19 US disclosed
EP-1863819-A2 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHINOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2007-12-12 EP disclosed
WO-2006087306-A2 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2006-08-24 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-20080146582-A1 disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances CHRNA6, CHRNA10, CHRNA2 CHRNA7 7/4885KCNH2 1056/4885GFER 1880/4885

“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.