SCHEMBL5987401

SCHEMBL5987401

Nc1ccccc1/C=C/C(=O)NC1CN2CCC1CC2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.51
CHRM2 P08172 3/20 0.49
CHRM1 P11229 3/20 0.49
CHRM3 P20309 3/20 0.49

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
SCHEMBL5987404 1.00 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL6152342 1.00 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL6152345 1.00 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL6153257 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL6152388 0.85 NPC1 (0.58) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5987676 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL6153018 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL6152740 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5986977 0.85 CHRNA7 (0.52) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5988428 0.85 NPC1 (0.58) CHRNA7CHRM2CHRM1CHRM3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160835-A1 Methods and compositions for treatment of central nervous system disorders BENCHERIF MEROUANE 2006-07-20 US claimed
US-7067261-B2 Methods and compositions for treatment of central nervous system disorders TARGACEPT, INC. (US) 2006-06-27 US claimed
EP-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP claimed
JP-2003514818-A 2003-04-22 JP claimed
EP-1233964-A1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES AstraZeneca AB (SE) 2002-08-28 EP claimed
WO-2001036417-A1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-05-25 WO claimed
US-20060160835-A1 Methods and compositions for treatment of central nervous system disorders BENCHERIF MEROUANE 2006-07-20 US disclosed
US-7067261-B2 Methods and compositions for treatment of central nervous system disorders TARGACEPT, INC. (US) 2006-06-27 US disclosed
US-20050165057-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-07-28 US disclosed
EP-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
EP-1500648-A1 NOVEL PIPERIDINE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP disclosed
US-6683090-B1 N-(1-AZABICYCLO(2.2.2)OCT-3-YL)PROPENAMIDE DERIVATIVES; PSYCHOTIC AND INTELLECTUAL IMPAIRMENT DISORDERS ASTRAZENECA AB (SE) 2004-01-27 US disclosed
EP-1233964-A1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES AstraZeneca AB (SE) 2002-08-28 EP disclosed
WO-2001036417-A1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-05-25 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 (2 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-20060160835-A1 Methods and compositions for treatment of central nervous system disorders JAK2, ERBB2, ERBB3 CHRNA7 46/4885CHRM2 121/4885CHRM1 411/4885
US-20050165057-A1 Novel piperidine derivative ACAT2, ACAT1, LCAT CHRNA7 3248/4885CHRM2 699/4885CHRM1 568/4885

“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.