SCHEMBL25808277

SCHEMBL25808277

CC(C)N1CCOC(CF)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.51
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
ERBB2 P04626 1/20 0.31
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31

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
SCHEMBL25808276 1.00 HRH3 (0.51) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL25081503 0.89 HRH3 (0.42) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL25081529 0.89 HRH3 (0.42) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL25125333 0.84 HRH3 (0.39) HRH3
SCHEMBL25081887 0.83 HRH3 (0.40) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL12122183 0.82 HRH3 (0.53) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL16000539 0.82 HRH3 (0.53) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL16000538 0.82 HRH3 (0.53) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL22996703 0.81 HRH3 (0.49) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL24498744 0.81 HRH3 (0.51) HRH3CHRM2HTR1ADRD3HTR2B

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 HRH3 1367/4885CHRM2 3474/4885HTR1A 786/4885

“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.