SCHEMBL5917873

SCHEMBL5917873

N#Cc1coc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.64
HTR3A P46098 6/20 0.64
HTR3E A5X5Y0 4/20 0.64
HTR3B O95264 4/20 0.64
HTR3D Q70Z44 4/20 0.64
HTR3C Q8WXA8 4/20 0.64
CYP2D6 P10635 1/20 0.64
CHRNB4 P30926 2/20 0.61
CHRNA3 P32297 2/20 0.61
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL6489639 0.95 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
Fumaric Acid SCHEMBL6487219 0.94 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
Fumaric Acid SCHEMBL6487226 0.94 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6479649 0.92 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5917912 0.90 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5917990 0.88 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6480690 0.87 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6479453 0.86 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6492482 0.84 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6478709 0.84 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US claimed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US claimed
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP claimed
EP-1572205-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP claimed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP claimed
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder PFIZER INC 2005-05-19 US claimed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP claimed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US claimed
WO-2004064836-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-08-05 WO claimed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO claimed
WO-2004052348-A2 TREATMENT OF DISEASES WITH COMBINATIONS OF ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS AND OTHER COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO claimed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US claimed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US disclosed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US disclosed
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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 (5 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 CHRNA7 2449/4885HTR3A 4302/4885HTR3E 4683/4885
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE CHRNA7 1/4885HTR3A 497/4885HTR3E 673/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG CHRNA7 1/4885HTR3A 426/4885HTR3E 837/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 CHRNA7 2449/4885HTR3A 4302/4885HTR3E 4683/4885
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder CHRNA7, CHRNA10, SLC18A3 CHRNA7 1/4885HTR3A 32/4885HTR3E 45/4885

“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.