SCHEMBL7063591

SCHEMBL7063591

C[C@H]1[C@H](NC(=O)c2cnc(-c3ccncc3)s2)C2CCN1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.46
CHRNB2 P17787 12/20 0.46
CHRNA4 P43681 12/20 0.46
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
USP30 Q70CQ3 1/20 0.44
GSK3B P49841 2/20 0.41
DYRK3 O43781 1/20 0.41
PRKCG P05129 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MAPK1 P28482 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKCD Q05655 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN2 Q16513 1/20 0.41
AURKB Q96GD4 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
SCHEMBL7063226 0.90 USP30 (0.54) CHRNA7CHRNB2CHRNA4USP30
SCHEMBL7126669 0.89 USP30 (0.44) CHRNA7CHRNB2CHRNA4USP30
SCHEMBL7123477 0.89 USP30 (0.44) CHRNA7CHRNB2CHRNA4USP30
SCHEMBL7122309 0.89 CHRNB2 (0.50) CHRNA7CHRNB2CHRNA4USP30
SCHEMBL7125545 0.88 USP30 (0.43) CHRNA7CHRNB2CHRNA4USP30
SCHEMBL7128282 0.88 SMN1; SMN2 (0.46) CHRNA7CHRNB2CHRNA4USP30
SCHEMBL7124113 0.88 PTPN11 (0.51) CHRNA7CHRNB2CHRNA4USP30
SCHEMBL7124292 0.88 USP30 (0.43) CHRNA7CHRNB2CHRNA4USP30GSK3B
SCHEMBL7126503 0.88 USP30 (0.43) CHRNA7CHRNB2CHRNA4USP30
SCHEMBL7218600 0.87 GSK3B (0.42) CHRNA7CHRNB2CHRNA4USP30GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599916-B2 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. PHARMACIA & UPJOHN COMPANY 2003-07-29 US claimed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP claimed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US claimed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US claimed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US claimed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
US-6599916-B2 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. PHARMACIA & UPJOHN COMPANY 2003-07-29 US disclosed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US disclosed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 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 (3 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-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 CHRNA7 304/4885CHRNB2 589/4885CHRNA4 602/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 CHRNA7 28/4885CHRNB2 557/4885CHRNA4 549/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 CHRNA7 304/4885CHRNB2 589/4885CHRNA4 602/4885

“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.