SCHEMBL823070

SCHEMBL823070

CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H]1Cc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
DNMT1 P26358 3/20 0.50
CYP2D6 P10635 1/20 0.45
HTR6 P50406 4/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4D Q08499 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL819282 1.00 POLB (0.52) POLBDNMT1CYP2D6HTR6DRD2
SCHEMBL374903 0.86 GPR84 (0.40) POLBDRD2DRD4ALDH1A1KMT2A
SCHEMBL820876 0.86 POLB (0.49) POLBDNMT1CYP2D6HTR6KDM4E
SCHEMBL818363 0.86 POLB (0.49) POLBDNMT1CYP2D6HTR6KDM4E
SCHEMBL823068 0.84 DRD4 (0.43) POLBHTR6DRD2DRD4DRD3
SCHEMBL818209 0.84 DRD4 (0.43) POLBHTR6DRD2DRD4DRD3
SCHEMBL28789715 0.83 DNMT1 (0.59) DNMT1CYP2D6HTR6DRD2DRD4
SCHEMBL12303282 0.82 HTR6 (0.60) POLBDNMT1HTR6
SCHEMBL12167363 0.82 HTR6 (0.60) POLBDNMT1HTR6
SCHEMBL823090 0.81 POLB (0.55) POLBDNMT1KDM4EALDH1A1MAPT

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-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 POLB 3282/4885DNMT1 3045/4885CYP2D6 4633/4885

“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.