SCHEMBL5596448

SCHEMBL5596448

CC(C)(C)OC(=O)N1CCC(N2CCc3cncc4ccc(N)c2c34)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
GPR119 Q8TDV5 8/20 0.40
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
BACE1 P56817 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
KDM1A O60341 1/20 0.40
NR1H2 P55055 1/20 0.39
SRC P12931 2/20 0.39
EGFR P00533 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3R1 P27986 1/20 0.39
PTPN11 Q06124 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
ATR Q13535 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL5596812 0.94 PIK3CA (0.45) TP53GPR119CTSDCTSEBACE1
SCHEMBL5597039 0.89 FPR2 (0.41) CTSDBACE1KDM1ANR1H2SRC
SCHEMBL5597056 0.89 TP53 (0.41) TP53GPR119CCNA2CDK2
SCHEMBL5596877 0.84 BACE1 (0.43) GPR119BACE1KDM1A
SCHEMBL5596601 0.83 USP30 (0.42) TP53GPR119SRCEGFRPIK3CA
SCHEMBL5596750 0.82 GPR119 (0.44) TP53GPR119
SCHEMBL5597012 0.78 FPR2 (0.44) KDM1APIK3CAPIK3R1
SCHEMBL5596878 0.77 USP30 (0.47) GPR119SRCEGFRPIK3CAPIK3R1
SCHEMBL5597160 0.77 GPR119 (0.41) TP53GPR119
SCHEMBL5596372 0.75 FPR2 (0.41) TP53GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A TP53 3641/4885GPR119 1379/4885CTSD 4617/4885

“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.