SCHEMBL373109

SCHEMBL373109

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.55
CHRNA7 P36544 12/20 0.55
HTR3E A5X5Y0 7/20 0.55
HTR3B O95264 7/20 0.55
HTR3A P46098 7/20 0.55
HTR3D Q70Z44 7/20 0.55
HTR3C Q8WXA8 7/20 0.55
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51

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
SCHEMBL7115503 0.90 ALDH1A1 (0.51) USP30CHRNA7HTR3EHTR3BHTR3A
SCHEMBL7113421 0.90 ALDH1A1 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7217876 0.89 CHRNA7 (0.48) USP30CHRNA7HTR3EHTR3BHTR3A
SCHEMBL7123511 0.89 HTR3A (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7226210 0.89 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7126658 0.89 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7225830 0.89 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7123097 0.89 ALDH1A1 (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7120535 0.89 USP30 (0.46) USP30CHRNA7HTR3EHTR3BHTR3A
SCHEMBL7223823 0.88 CHRNA7 (0.50) CHRNA7HTR3EHTR3BHTR3AHTR3D

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 19 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-2002017358-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
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS TARGACEPT, INC. (US) 2014-08-21 US disclosed
EP-2484363-A1 (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)-5-methylthiophene-2-carboxamide Targacept, Inc. (US) 2012-08-08 EP disclosed
EP-2409703-A1 Treatment with alpha7-selective ligands Targacept, Inc. (US) 2012-01-25 EP disclosed
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-10-27 US disclosed
EP-2364150-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS Targacept Inc. (US) 2011-09-14 EP disclosed
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-05-26 US disclosed
WO-2010056622-A1 TREATMENT WITH ALPHA α7-SELECTIVE LIGANDS TARGACEPT, INC. (US) 2010-05-20 WO disclosed
EP-2185152-A2 ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS Targacept Inc. (US) 2010-05-19 EP disclosed
WO-2009018511-A2 ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS TARGACEPT, INC. (US) 2009-02-05 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 (6 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-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS CHRNA7, CHRNA2, CHRNA4 USP30 2241/4885CHRNA7 1/4885HTR3E 312/4885
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS CHRNA7, CHRNA1, CHRNG USP30 2897/4885CHRNA7 1/4885HTR3E 229/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 USP30 3951/4885CHRNA7 304/4885HTR3E 1023/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 USP30 3494/4885CHRNA7 28/4885HTR3E 1668/4885
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS CHRNA7, CHRNA4, CHRNA2 USP30 3151/4885CHRNA7 1/4885HTR3E 378/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 USP30 3951/4885CHRNA7 304/4885HTR3E 1023/4885

“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.