SCHEMBL7224306

SCHEMBL7224306

O=C(N[C@H]1CN2CCC1CC2)c1ncc(-c2ccccc2[N+](=O)[O-])o1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.55
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
FAAH O00519 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR3A P46098 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL7225428 0.91 CHRNA7 (0.47) CHRNA7ALDH1A1POLBFAAHHTR3A
SCHEMBL7225430 0.91 CHRNA7 (0.47) CHRNA7ALDH1A1POLBFAAHHTR3A
SCHEMBL7124007 0.85 CHRNA7 (0.49) CHRNA7HTR3ACHRM2CHRM1CHRM3
SCHEMBL7132189 0.84 CHRNA7 (0.48) CHRNA7HTR3ACHRM2CHRM1CHRM3
SCHEMBL7129058 0.84 CHRNA7 (0.53) CHRNA7HTR3A
SCHEMBL7122986 0.84 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7119547 0.84 CHRNA7 (0.53) CHRNA7HTR3ACHRM2CHRM1CHRM3
SCHEMBL7218635 0.84 CHRNA7 (0.53) CHRNA7HTR3ACHRM2CHRM1CHRM3
SCHEMBL7157923 0.83 ALDH1A1 (0.68) CHRNA7ALDH1A1POLBNPC1RAB9A
SCHEMBL7130939 0.82 ALDH1A1 (0.70) CHRNA7ALDH1A1POLBFAAHHTR3A

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 CHRNA7 304/4885ALDH1A1 130/4885POLB 637/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 CHRNA7 28/4885ALDH1A1 267/4885POLB 344/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 CHRNA7 304/4885ALDH1A1 130/4885POLB 637/4885

“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.