SCHEMBL7129778

SCHEMBL7129778

CC(=O)Nc1ccccc1-c1ncc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
USP30 Q70CQ3 1/20 0.38
CHRNA7 P36544 11/20 0.38
CHRNB2 P17787 10/20 0.38
CHRNA4 P43681 10/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HTR3A P46098 1/20 0.36
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7126551 0.90 MAPK11 (0.42) MAPK11MAPK14USP30CHRNA7CHRNB2
SCHEMBL7131949 0.89 MAPK11 (0.41) MAPK11MAPK14USP30CHRNA7CHRNB2
SCHEMBL7118756 0.87 MAPK11 (0.42) MAPK11MAPK14USP30CHRNA7CHRNB2
SCHEMBL7114479 0.86 USP30 (0.41) MAPK11MAPK14USP30CHRNA7CHRNB2
SCHEMBL7112823 0.86 USP30 (0.41) MAPK11MAPK14USP30CHRNA7CHRNB2
SCHEMBL7122228 0.86 CHRNA7 (0.41) MAPK11MAPK14USP30CHRNA7CHRNB2
SCHEMBL7130507 0.86 MAPK11 (0.45) MAPK11MAPK14USP30CHRNA7CHRNB2
SCHEMBL7127043 0.85 MAPK11 (0.51) MAPK11MAPK14USP30CHRNA7CHRNB2
SCHEMBL7131332 0.85 CHRNA7 (0.42) MAPK11MAPK14USP30CHRNA7CHRNB2
SCHEMBL7123689 0.85 HRH3 (0.47) USP30CHRNA7CHRNB2CHRNA4HRH3

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 16 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
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
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-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
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP 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-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS 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 MAPK11 4437/4885MAPK14 4654/4885USP30 3951/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 MAPK11 4457/4885MAPK14 4569/4885USP30 3494/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 MAPK11 4437/4885MAPK14 4654/4885USP30 3951/4885

“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.