SCHEMBL5453440

SCHEMBL5453440

CN1CCN(C(=O)COc2ccc3c(C(N)=O)c(NC(=O)C4CC4)sc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HTR1A P08908 3/20 0.43
HTR1D P28221 3/20 0.43
HTR1B P28222 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
PDE7A Q13946 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5459851 0.89 FKBP1A (0.46) POLBALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL5456020 0.84 MAPT (0.41) GAAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5460935 0.83 MAPT (0.42) POLBPDE7AMEN1TSHRMAPK1
SCHEMBL5451020 0.83 ABL1 (0.49) GAAPOLBALDH1A1SMN1; SMN2TP53
SCHEMBL5449196 0.82 ABL1 (0.50) MAPT
SCHEMBL5453194 0.81 ALDH1A1 (0.41) POLBALDH1A1MEN1RAB9AKMT2A
SCHEMBL5451194 0.80 POLB (0.40) GAAPOLBALDH1A1TP53HPGD
SCHEMBL5451669 0.80 ESR1 (0.51) ALDH1A1TP53MEN1TSHRKMT2A
SCHEMBL5455868 0.80 ABL1 (0.39) GAAPOLBALDH1A1SMN1; SMN2TP53
SCHEMBL5450710 0.80 MAPK10 (0.52) GAAALDH1A1SMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 GAA 540/4885HTR1A 2426/4885HTR1D 2469/4885

“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.