SCHEMBL5988097

SCHEMBL5988097

COc1cncc(C=CC(=O)NC2CN3CCC2CC3)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR5A P47898 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNA7 P36544 2/20 0.40
MAPK1 P28482 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL6152530 1.00 HTR3A (0.41) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL6152533 1.00 HTR3A (0.41) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL5988093 1.00 HTR3A (0.41) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL6153128 0.87 CHRNA7 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6153125 0.87 CHRNA7 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5986807 0.87 CHRNA7 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5986813 0.87 CHRNA7 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5987493 0.84 TP53 (0.51) MEN1KMT2ACHRNA7
SCHEMBL6153372 0.84 TP53 (0.51) MEN1KMT2ACHRNA7
SCHEMBL6153370 0.84 TP53 (0.51) MEN1KMT2ACHRNA7

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 11 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
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 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
EP-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HTR3A 192/4885HTR3E 349/4885HTR3B 139/4885

“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.