SCHEMBL25811382

SCHEMBL25811382

CC(C)(C)OC(=O)N[C@H](COc1ncc(Br)cc1Br)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.44
CACNA1B Q00975 1/20 0.35
SSTR4 P31391 1/20 0.35
CNR2 P34972 1/20 0.34
DGAT1 O75907 1/20 0.34
IGF1R P08069 1/20 0.33
RORC P51449 1/20 0.33
SCN9A Q15858 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL30491786 1.00 AAK1 (0.44) AAK1CACNA1BSSTR4CNR2DGAT1
SCHEMBL28995563 1.00 AAK1 (0.44) AAK1CACNA1BSSTR4CNR2DGAT1
SCHEMBL25250102 0.84 CNR2 (0.35) AAK1SSTR4CNR2SCN9A
SCHEMBL25297477 0.84 CNR2 (0.35) AAK1SSTR4CNR2SCN9A
SCHEMBL25811104 0.83 AAK1 (0.50) AAK1SCN9ACTSBCTSSCTSK
SCHEMBL25811427 0.81 AAK1 (0.47) AAK1SCN9ACTSBCTSSCTSK
SCHEMBL28995608 0.81 AAK1 (0.47) AAK1SCN9ACTSBCTSSCTSK
SCHEMBL25807450 0.79 AAK1 (0.61) AAK1SCN9A
SCHEMBL28995711 0.79 CNR1 (0.42) AAK1CACNA1BCNR2CTSSCTSK
SCHEMBL25807492 0.79 CNR1 (0.42) AAK1CACNA1BCNR2CTSSCTSK

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-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 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-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 AAK1 293/4885CACNA1B 112/4885SSTR4 3823/4885

“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.