SCHEMBL6099564

SCHEMBL6099564

C#Cc1cccc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KRAS P01116 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
KDM1A O60341 1/20 0.31
HTR4 Q13639 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL6100564 0.90 KDM1A (0.37) CHRNA7IRAK4SLC6A2SLC6A4CHRNB2
SCHEMBL6099436 0.87 IRAK4 (0.38) CHRNA7IRAK4SLC6A4SLC6A3CHRNB2
SCHEMBL6099441 0.85 IRAK4 (0.36) CHRNA7IRAK4SLC6A2SLC6A4SLC6A3
SCHEMBL6100264 0.83 CHRNA7 (0.34) CHRNA7IRAK4HTR3EHTR3BHTR3A
SCHEMBL6101467 0.83 SLC6A2 (0.34) CHRNA7SLC6A2SLC6A4SLC6A3CHRNB4
SCHEMBL6100142 0.82 CHRNA7 (0.32) CHRNA7USP30
SCHEMBL6101149 0.82 HCRTR1 (0.39) CHRNA7SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL5917815 0.82 CHRNA7 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL5231652 0.81 CHRNA7 (0.47) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6100743 0.81 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR3ACHRNB4

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 CHRNA7 1836/4885IRAK4 3560/4885SLC6A2 1361/4885

“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.