SCHEMBL7219653

SCHEMBL7219653

C[C@H]1[C@H](NC(=O)c2ccc(-c3ccccc3C#N)[nH]2)C2CCN1CC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 3/20 0.36
FPR2 P25090 3/20 0.36
SRC P12931 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
AR P10275 1/20 0.33
USP30 Q70CQ3 2/20 0.32
PPIA P62937 1/20 0.32
HSD11B1 P28845 1/20 0.32
CHRNA7 P36544 3/20 0.32
HTR3A P46098 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
UCHL1 P09936 1/20 0.32
SCD5 Q86SK9 1/20 0.32
DRD4 P21917 1/20 0.31
HSD17B3 P37058 1/20 0.31

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
SCHEMBL7218791 0.86 RAC1 (0.35) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL7224561 0.86 BRD4 (0.34) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL7119201 0.86 RIPK1 (0.36) USP30CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL7124537 0.85 CHRNA7 (0.39) HSD11B1CHRNA7CHRNB2CHRNA4
SCHEMBL7127767 0.85 CHRNB2 (0.39) FPR1FPR2CHRNA7CHRNB2CHRNA4
SCHEMBL7218725 0.85 CHRNA7 (0.34) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL7169103 0.84 TACR1 (0.34) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL7116656 0.84 CHRNA7 (0.41) FPR2CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL7129132 0.83 ALDH1A1 (0.36)
SCHEMBL7130837 0.83 PTPN1 (0.44) USP30CHRNA7CHRNB2CHRNA4

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 15 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
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-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO 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 FPR1 1238/4885FPR2 2199/4885SRC 3913/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 FPR1 2096/4885FPR2 3153/4885SRC 3532/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 FPR1 1238/4885FPR2 2199/4885SRC 3913/4885

“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.