SCHEMBL14489751

SCHEMBL14489751

CCOC(=O)N1CCC(Oc2cc3c(=O)[nH]cnc3cc2OCC)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XBP1 P17861 1/20 0.50
BRD4 O60885 2/20 0.44
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
PDE4B Q07343 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.40
GPR119 Q8TDV5 4/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 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
SCHEMBL4970366 0.93 USP2 (0.49) XBP1BRD4USP2HTTPDE4B
SCHEMBL14489753 0.93 XBP1 (0.43) XBP1BRD4PDE4B
SCHEMBL14489760 0.92 ERBB2 (0.46) XBP1BRD4USP2HTTPDE4B
SCHEMBL21612785 0.91 XBP1 (0.40) XBP1
SCHEMBL21612803 0.91 PDE4D (0.47) XBP1BRD4PDE4BMAPTGPR119
SCHEMBL14489755 0.87 EGFR (0.39) XBP1GPR119
SCHEMBL14489747 0.84 EGFR (0.48) PDE4B
SCHEMBL14489761 0.83 ERBB2 (0.47)
SCHEMBL14489789 0.83 EGFR (0.43) HTTPDE4BALDH1A1
SCHEMBL14489763 0.83 GPR119 (0.46) BRD4MAPTGPR119ALDH1A1KDM4E

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
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 US disclosed
US-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same HIMMELSBACH FRANK 2007-06-14 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-20070135463-A1 Bicyclic heterocycles, drugs containing said compounds, the use thereof and method for preparing same BPHL, CYP11B2, CYP11B1 XBP1 4713/4885BRD4 1478/4885USP2 4251/4885

“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.