SCHEMBL892255

SCHEMBL892255

COc1ccc2c(c1)[C@]1(NC(=O)NC1=O)[C@@]1(C)OCCC[C@@H]1O2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.38
LMNA P02545 1/20 0.37
AKR1B1 P15121 2/20 0.36
ADAM17 P78536 3/20 0.35
OPRK1 P41145 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
OPRM1 P35372 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
SCHEMBL891871 0.84 BACE1 (0.38)
SCHEMBL892224 0.82 BACE1 (0.48)
SCHEMBL891892 0.73 BACE1 (0.51)
SCHEMBL875232 0.69 BCHE (0.47) LMNAALDH1A1CYP3A4MAPK1HTR7
SCHEMBL10576219 0.67 AKR1B1 (0.51) AKR1B1
SCHEMBL11338887 0.65 AKR1B10 (0.66) AKR1B1
SCHEMBL7892214 0.65 BACE1 (0.61)
SCHEMBL10576683 0.63 PDE7A (0.44) PDE7ALMNAAKR1B1
SCHEMBL877186 0.60 TNF (0.39) PDE7ALMNAAKR1B1ADAM17OPRK1
SCHEMBL8273477 0.60 GAA (0.57) PDE7AAKR1B1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 PDE7A 984/4885LMNA 616/4885AKR1B1 998/4885

“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.