SCHEMBL6098006

SCHEMBL6098006

COc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.41
SLC6A3 Q01959 4/20 0.37
SLC6A4 P31645 3/20 0.37
KDM1A O60341 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
ITGA5 P08648 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34

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
SCHEMBL6099211 0.84 CHRNB2 (0.35) SLC6A3SLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL6101623 0.83 CHRNB2 (0.34) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL6099580 0.81 CTSA (0.42) HTR4SLC6A3SLC6A4KDM1ACHRNA1
SCHEMBL6099466 0.81 CHRNB2 (0.36) SLC6A3SLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL6098192 0.80 HTR4 (0.43) HTR4SLC6A3SLC6A4KDM1ACHRNA1
SCHEMBL6100508 0.80 CHRNB2 (0.33) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL6100487 0.80 PDE4A (0.33) HTR4PDE4APDE4BPDE4CPDE4D
SCHEMBL6100189 0.80 CHRNB2 (0.34) HTR4PDE4APDE4BPDE4CPDE4D
SCHEMBL6098817 0.80 CHRNB2 (0.39) SLC6A3SLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL6101758 0.79 CHRNB2 (0.34) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 HTR4 3671/4885SLC6A3 1166/4885SLC6A4 2113/4885

“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.