SCHEMBL25250102

SCHEMBL25250102

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.35
SCN9A Q15858 1/20 0.34
GABRA5 P31644 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
SSTR4 P31391 1/20 0.32
FPR2 P25090 1/20 0.32
OPRK1 P41145 6/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL25297477 1.00 CNR2 (0.35) CNR2SCN9AGABRA5KDM4EHSD17B10
SCHEMBL30491786 0.84 AAK1 (0.44) CNR2SCN9AAAK1SSTR4
SCHEMBL25811382 0.84 AAK1 (0.44) CNR2SCN9AAAK1SSTR4
SCHEMBL28995563 0.84 AAK1 (0.44) CNR2SCN9AAAK1SSTR4
SCHEMBL25253603 0.79 SCN9A (0.40) CNR2SCN9AGABRA5AAK1SMN1; SMN2
SCHEMBL25252925 0.77 SCN9A (0.37) CNR2SCN9AGABRA5KDM4EHSD17B10
SCHEMBL25300548 0.77 SCN9A (0.37) CNR2SCN9AGABRA5KDM4EHSD17B10
SCHEMBL25295581 0.75 AAK1 (0.44) CNR2SCN9AGABRA5AAK1
SCHEMBL28995791 0.75 CNR2 (0.33) CNR2SCN9AKDM4EHSD17B10SSTR4
SCHEMBL25295580 0.75 AAK1 (0.44) CNR2SCN9AGABRA5AAK1

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 CNR2 2424/4885SCN9A 2882/4885GABRA5 1863/4885

“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.