SCHEMBL6099319

SCHEMBL6099319

C#Cc1ccc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRNA7 P36544 2/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
ABL1 P00519 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
F10 P00742 2/20 0.32
SCN9A Q15858 5/20 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
SCHEMBL6098149 0.90 CHRNB2 (0.39) CHRNA7SCN9A
SCHEMBL5917884 0.84 F10 (0.42) SLC6A4SLC6A3CHRNA7HTR3EHTR3B
SCHEMBL5917825 0.84 ABL1 (0.39) SLC6A2SLC6A4SLC6A3CHRNA7HTR3E
SCHEMBL5917815 0.84 CHRNA7 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6100339 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CHRNA7SMYD3
Hydrochloric Acid SCHEMBL5231652 0.83 CHRNA7 (0.47) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6099351 0.82 CHRNA7 (0.37) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6100364 0.82 CHRNA7 (0.33) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6100300 0.82 ABL1 (0.43) ABL1SCN9A
SCHEMBL6099564 0.80 CHRNA7 (0.34) SLC6A2SLC6A4SLC6A3CHRNA7HTR3E

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 SLC6A2 1361/4885SLC6A4 2113/4885SLC6A3 1166/4885

“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.