SCHEMBL3549772

SCHEMBL3549772

CN1C2CCCC1CN(c1ccc(C#Cc3ccc4[nH]ccc4c3)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.41
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
KCNH2 Q12809 4/20 0.39
GRIN1 Q05586 1/20 0.39
APP P05067 1/20 0.39
OGA O60502 1/20 0.35
CHRNA7 P36544 5/20 0.35
ACACB O00763 1/20 0.34
CYP2A6 P11509 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
EGFR P00533 1/20 0.33

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 0.80 CHRNA7 (0.46) GFERIMPDH2IMPDH1KCNH2GRIN1
SCHEMBL3548034 0.77 CHRNA7 (0.47) GFERIMPDH2IMPDH1KCNH2GRIN1
SCHEMBL1020852 0.76 APP (0.41) GFERAPPSLC6A2SLC6A4SLC6A3
SCHEMBL2677548 0.71 CHRNA7 (0.60) KCNH2CHRNA7EGFR
SCHEMBL1397905 0.70 CHRNA7 (0.71) KCNH2CHRNA7
SCHEMBL6840540 0.69 KCNH2 (0.46) KCNH2CHRNA7CYP2A6SLC6A2SLC6A4
SCHEMBL1449960 0.68 CHRNA7 (0.71) KCNH2CHRNA7EGFR
SCHEMBL1080464 0.68 GFER (0.69) GFERIMPDH2IMPDH1GRIN1APP
SCHEMBL31406207 0.67 KCNH2 (0.42) KCNH2CYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL3135365 0.66 KMT2A (0.42) SLC6A2SLC6A4SLC6A3

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
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
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 claimed
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 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 GFER 1880/4885IMPDH2 3490/4885IMPDH1 3294/4885

“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.