SCHEMBL7226835

SCHEMBL7226835

N#Cc1cccc(-c2cnc(C(=O)N[C@H]3CN4CCC3CC4)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.49
FAAH O00519 1/20 0.48
USP30 Q70CQ3 1/20 0.48
CHRNA7 P36544 9/20 0.47
HTR3E A5X5Y0 5/20 0.46
HTR3B O95264 5/20 0.46
HTR3D Q70Z44 5/20 0.46
HTR3C Q8WXA8 5/20 0.46

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
SCHEMBL7224475 0.90 KDM1A (0.46) HTR3AFAAHUSP30CHRNA7HTR3E
SCHEMBL7123407 0.88 USP30 (0.48) HTR3AFAAHUSP30CHRNA7HTR3E
SCHEMBL7223823 0.86 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL7122580 0.85 CHRNA7 (0.53) HTR3AFAAHCHRNA7HTR3EHTR3B
SCHEMBL7128786 0.85 HDAC1 (0.51) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL7121773 0.85 CHRNA7 (0.56) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL7114527 0.85 CHRNA7 (0.51) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL7131248 0.85 CHRNA7 (0.52) HTR3AFAAHCHRNA7HTR3EHTR3B
SCHEMBL373109 0.85 USP30 (0.55) HTR3AUSP30CHRNA7HTR3EHTR3B
SCHEMBL7119421 0.85 HTR3A (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D

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 7 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
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US 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

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 HTR3A 712/4885FAAH 1717/4885USP30 3951/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 HTR3A 1069/4885FAAH 2811/4885USP30 3494/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 HTR3A 712/4885FAAH 1717/4885USP30 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.