SCHEMBL31414533

SCHEMBL31414533

COC(=O)[C@H]1CC[C@H](Oc2ccc3c(c2)NC(=O)CC3)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.40
ADRA1D P25100 3/20 0.40
SLC6A4 P31645 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
PTPN1 P18031 1/20 0.39
P2RX3 P56373 1/20 0.39
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
TRPV1 Q8NER1 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
DRD4 P21917 5/20 0.36
DRD3 P35462 5/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL30645785 0.85 DDB1 (0.40) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL30645741 0.80 MAOB (0.41) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL4185902 0.79 HRH3 (0.53) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL30645947 0.77 DRD2 (0.43) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL30645823 0.74 MAOB (0.41) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL15545122 0.73 CRBN (0.44) DDB1CRBNMAOAMAOBHRH3
SCHEMBL26604815 0.72 MAOB (0.47) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL30645810 0.72 DRD2 (0.43) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL3179833 0.72 P2RX3 (0.45) PTPN1P2RX3NR1H2NR1H3HRH3
SCHEMBL8338588 0.72 P2RX3 (0.45) PTPN1P2RX3NR1H2NR1H3HRH3

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-20260116891-A1 Oxazepin Derivative TEIJIN PHARMA LTD (JP) 2026-04-30 US disclosed
EP-4512811-A1 OXAZEPINE DERIVATIVE Teijin Pharma Limited (JP) 2025-02-26 EP 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-20260116891-A1 Oxazepin Derivative HCRTR2, HCRTR1, OXTR DRD2 112/4885ADRA1D 53/4885SLC6A4 534/4885

“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.