SCHEMBL5730541

SCHEMBL5730541

CC(C)(C)ON(C=O)C1c2ccccc2CC1N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.33
EPHX2 P34913 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
ANPEP P15144 1/20 0.30
HTR2A P28223 3/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HRH3 Q9Y5N1 2/20 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
SCHEMBL5558740 0.75 DRD3 (0.39) EPHX2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL19200493 0.73 EPHX2 (0.37) KDM1AEPHX2HTR2AHTR2CHTR2B
SCHEMBL6629270 0.73 EPHX2 (0.37) KDM1AEPHX2HTR2AHTR2CHTR2B
SCHEMBL19200258 0.73 EPHX2 (0.37) KDM1AEPHX2HTR2AHTR2CHTR2B
SCHEMBL19182883 0.73 EPHX2 (0.37) KDM1AEPHX2HTR2AHTR2CHTR2B
SCHEMBL6630657 0.72 HTR2A (0.30) HTR2A
SCHEMBL17571679 0.71 HTR2A (0.44) KDM1ASIGMAR1HTR2AHTR2CHTR2B
SCHEMBL19200494 0.71 HTR2A (0.44) KDM1ASIGMAR1HTR2AHTR2CHTR2B
SCHEMBL17571730 0.71 HTR2A (0.44) KDM1ASIGMAR1HTR2AHTR2CHTR2B
SCHEMBL28162183 0.71 HTR2A (0.44) KDM1ASIGMAR1HTR2AHTR2CHTR2B

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
EP-1483271-B1 HETEROCYCLIC AMIDE DERIVATIVES HAVING GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-11-22 EP disclosed
US-7122567-B2 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2006-10-17 US disclosed
US-20050131052-A1 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 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-20050131052-A1 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity PYGL, GYS1, CBR3 KDM1A 3691/4885EPHX2 2232/4885SIGMAR1 20/4885

“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.