SCHEMBL6099441

SCHEMBL6099441

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
ABL1 P00519 3/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
ITGA5 P08648 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRND Q07001 1/20 0.35
CHRM1 P11229 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 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
SCHEMBL6099436 0.88 IRAK4 (0.38) IRAK4SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL6101149 0.87 HCRTR1 (0.39) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL6099564 0.85 CHRNA7 (0.34) IRAK4SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL6100564 0.85 KDM1A (0.37) IRAK4ABL1SLC6A2SLC6A4CHRNB2
SCHEMBL5917815 0.85 CHRNA7 (0.48) ABL1CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL5231652 0.84 CHRNA7 (0.47) ABL1CHRNB2CHRNA4CHRNA7
SCHEMBL6101021 0.82 CHRNA7 (0.36) IRAK4ABL1CHRNB2CHRNA4CHRNA7
SCHEMBL7122443 0.82 KDM2B (0.41) SLC6A2SLC6A4SLC6A3TAS1R3TAS1R1
SCHEMBL6099240 0.81 KDM4E (0.34) ABL1CHRNA7CHRM1TAS1R3TAS1R1
SCHEMBL5917825 0.81 ABL1 (0.39) ABL1SLC6A2SLC6A4SLC6A3CHRNA7

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 IRAK4 3560/4885ABL1 236/4885SLC6A2 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.