SCHEMBL29424933

SCHEMBL29424933

CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1COc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
F2R P25116 1/20 0.39
KDM4D Q6B0I6 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
RBP4 P02753 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 2/20 0.37
PTGES O14684 1/20 0.37
PDE4B Q07343 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL29424914 0.84 LMNA (0.42) KMT2AL3MBTL1HDAC4HDAC6
SCHEMBL22090324 0.84 NPC1 (0.40) TAS1R3TAS1R1TAS1R2PTGESNPC1
SCHEMBL21888442 0.76 KMT2A (0.45) F2RKMT2AL3MBTL1
SCHEMBL29424972 0.76 ALDH1A1 (0.47) KMT2AL3MBTL1PTGESTDP1
SCHEMBL19515075 0.73 PTGES (0.48) TAS1R3TAS1R1TAS1R2F2RKDM4D
SCHEMBL22090353 0.73 HCRTR1 (0.53)
SCHEMBL2379088 0.73 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2F2RKDM4D
SCHEMBL2389864 0.73 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2F2RKDM4D
SCHEMBL12290387 0.72 PDE4B (0.38) TAS1R3TAS1R1TAS1R2F2RKDM4D
SCHEMBL19177176 0.71 EPHX1 (0.43) KMT2AL3MBTL1PDE4BHDAC4HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331029-B2 Orexin 1 receptor antagonists NXERA PHARMA UK LIMITED (GB) 2025-06-17 US disclosed
US-12240825-B2 Oxexin 1 receptor antagonists NXERA PHARMA UK LIMITED (GB) 2025-03-04 US disclosed
US-20220098165-A1 OXEXIN 1 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2022-03-31 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 (3 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-20220098165-A1 OXEXIN 1 RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, OXTR AAK1 883/4885TAS1R3 563/4885TAS1R1 457/4885
US-12240825-B2 Oxexin 1 receptor antagonists HCRTR1, HCRTR2, OXTR AAK1 883/4885TAS1R3 563/4885TAS1R1 457/4885
US-12331029-B2 Orexin 1 receptor antagonists HCRTR1, HCRTR2, NPY1R AAK1 876/4885TAS1R3 561/4885TAS1R1 467/4885

“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.