SCHEMBL8170409

SCHEMBL8170409

CC(C)(C)OC(=O)n1[nH]c(=O)c2cc(N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.42
ADORA3 P0DMS8 2/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
HTR6 P50406 1/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
XIAP P98170 1/20 0.33
BTK Q06187 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 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
SCHEMBL3761255 0.89 NR1H2 (0.42) NR1H2ADORA3ENPP3ALPLXIAP
SCHEMBL9646454 0.80 CHRM2 (0.43) NR1H2KDM4EBRD4CREBBPPARP1
SCHEMBL31667300 0.80 CHRM2 (0.43) NR1H2KDM4EBRD4CREBBPPARP1
SCHEMBL12090371 0.77 GPR119 (0.38) ADORA3GABRG2GABRB3GABRA5ENPP3
SCHEMBL4468997 0.75 NR1H2 (0.44) NR1H2GABRG2GABRB3GABRA5HTR6
SCHEMBL3514381 0.72 MAP2K4 (0.43) NR1H2ADORA3GABRG2GABRB3GABRA5
SCHEMBL3768334 0.72 MAPT (0.44) GABRG2GABRB3GABRA5MAPTPARP1
SCHEMBL6483062 0.71 CHRM2 (0.49) NR1H2GABRG2GABRB3GABRA5HTR6
SCHEMBL660243 0.71 MAP2K4 (0.45) NR1H2GABRG2GABRB3GABRA5HTR6
SCHEMBL17076296 0.71 GABRG2 (0.34) GABRG2GABRB3GABRA5KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 NR1H2 1623/4885ADORA3 710/4885GABRG2 3296/4885

“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.