SCHEMBL6489218

SCHEMBL6489218

CC(C)c1coc2ccc(C(=O)NC3CC4CNC3C4)cc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.39
HTR3A P46098 2/20 0.37
MTNR1A P48039 2/20 0.34
MMP3 P08254 1/20 0.33
MMP12 P39900 1/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
CYP3A4 P08684 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
AKT1 P31749 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL6489157 0.94 CHRNA7 (0.35) CHRNA7HTR3AMTNR1AMMP3MMP12
SCHEMBL6492160 0.86 CHRNA7 (0.49) CHRNA7HTR3AMTNR1AF10CYP3A4
SCHEMBL6492732 0.85 CHRNA7 (0.50) CHRNA7HTR3AMTNR1AF10HTR3E
SCHEMBL6479876 0.84 CHRNA7 (0.38) CHRNA7HTR3AMTNR1ACYP3A4HTR3E
SCHEMBL843080 0.82 CHRNA7 (0.33) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6479656 0.82 CHRNA7 (0.38) CHRNA7HTR3AMTNR1ACYP3A4HTR3E
SCHEMBL5226254 0.82 CHRNA7 (0.39) CHRNA7HTR3AMTNR1AF9F10
SCHEMBL6480843 0.82 CHRNA7 (0.37) CHRNA7HTR3AMTNR1ACYP3A4HTR3E
SCHEMBL6479612 0.82 CHRNA7 (0.39) CHRNA7HTR3AMTNR1AMMP3MMP12
SCHEMBL6480823 0.82 CHRNA7 (0.37) CHRNA7HTR3AMTNR1ACYP3A4HTR3E

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 CHRNA7 2449/4885HTR3A 4302/4885MTNR1A 1973/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 CHRNA7 2449/4885HTR3A 4302/4885MTNR1A 1973/4885

“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.