SCHEMBL5513115

SCHEMBL5513115

CCS(=O)(=O)[N]c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
CYP1A2 P05177 1/20 0.47
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
HSP90AA1 P07900 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9116076 0.79 HTR3E (0.52) CYP1A2HTR3EHTR3BHTR3AHTR3D
SCHEMBL2911477 0.76 NPSR1 (0.47) MEN1KMT2ALMNANPSR1POLB
SCHEMBL4156742 0.73 HTR3E (0.50) CYP2A6CYP1A2HTR3EHTR3BHTR3A
SCHEMBL919684 0.72 HTR3E (0.48) CYP2A6CYP1A2HTR3EHTR3BHTR3A
SCHEMBL28592968 0.70 MEN1 (0.50) CYP2A6HTR3EHTR3BHTR3AHTR3D
SCHEMBL9819757 0.69 HTR3E (0.46) CYP2A6CYP1A2HTR3EHTR3BHTR3A
SCHEMBL1680572 0.69 HTR3E (0.54) CYP2A6CYP1A2HTR3EHTR3BHTR3A
SCHEMBL941460 0.69 HTR3E (0.54) CYP2A6CYP1A2HTR3EHTR3BHTR3A
SCHEMBL3283287 0.68 MEN1 (0.75) CYP2A6CYP1A2HTR3EHTR3BHTR3A
SCHEMBL1354442 0.68 HTR3E (0.58) CYP2A6CYP1A2HTR3EHTR3BHTR3A

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-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 CYP2A6 2174/4885CYP1A2 1728/4885HTR3E 24/4885

“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.