SCHEMBL373017

SCHEMBL373017

O=C(N[C@H]1CN2CCC1CC2)c1cnc(-c2ccccc2)s1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.67
HTR3E A5X5Y0 8/20 0.67
HTR3B O95264 8/20 0.67
HTR3A P46098 8/20 0.67
HTR3D Q70Z44 8/20 0.67
HTR3C Q8WXA8 8/20 0.67
USP30 Q70CQ3 1/20 0.59
CHEK1 O14757 1/20 0.53

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
SCHEMBL6502838 0.95 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
Fumaric Acid SCHEMBL7220386 0.95 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
Fumaric Acid SCHEMBL7220381 0.95 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7122324 0.90 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7122757 0.90 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7123190 0.89 CHRNA7 (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7219937 0.89 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7218140 0.89 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7225117 0.89 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7218353 0.89 CHRNA7 (0.53) 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 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
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-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 CHRNA7 1/4885HTR3E 312/4885HTR3B 108/4885
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS CHRNA7, CHRNA1, CHRNG CHRNA7 1/4885HTR3E 229/4885HTR3B 97/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 CHRNA7 304/4885HTR3E 1023/4885HTR3B 414/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 CHRNA7 28/4885HTR3E 1668/4885HTR3B 628/4885
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS CHRNA7, CHRNA4, CHRNA2 CHRNA7 1/4885HTR3E 378/4885HTR3B 136/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 CHRNA7 304/4885HTR3E 1023/4885HTR3B 414/4885

“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.