SCHEMBL6489169

SCHEMBL6489169

CC(C)c1coc2cc(C(=O)NC3CC4CC3CN4)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.36
MMP12 P39900 2/20 0.36
CHRNA7 P36544 5/20 0.35
HTR3A P46098 3/20 0.34
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
MTNR1A P48039 1/20 0.32
CNR2 P34972 1/20 0.32
CMA1 P23946 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CYP2D6 P10635 1/20 0.32
AKT1 P31749 1/20 0.32
MMP7 P09237 1/20 0.32

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
SCHEMBL6479612 0.94 CHRNA7 (0.39) MMP3MMP12CHRNA7HTR3AHTR3E
SCHEMBL6489366 0.86 CHRNA7 (0.42) MMP3MMP12CHRNA7HTR3AHTR3E
SCHEMBL6489209 0.84 CHRNA7 (0.42) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6488143 0.84 CHRNA7 (0.35) MMP3MMP12CHRNA7HTR3AHTR3E
SCHEMBL6489484 0.82 CHRNA7 (0.52) MMP3MMP12CHRNA7HTR3AHTR3E
SCHEMBL6480441 0.82 CHRNA7 (0.35) MMP3MMP12CHRNA7HTR3AHTR3E
SCHEMBL6489157 0.82 CHRNA7 (0.35) MMP3MMP12CHRNA7HTR3AHTR3E
SCHEMBL6480421 0.82 CHRNA7 (0.36) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6492900 0.82 CHRNA7 (0.36) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6491037 0.80 CHRNA7 (0.38) MMP3MMP12CHRNA7HTR3AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 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
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-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US 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 (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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 MMP3 2572/4885MMP12 1692/4885CHRNA7 2449/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 MMP3 2572/4885MMP12 1692/4885CHRNA7 2449/4885

“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.