SCHEMBL7106929

SCHEMBL7106929

CC(C)(C)OC(=O)NNCCc1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
AGXT P21549 1/20 0.43
NQO2 P16083 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAOB P27338 3/20 0.39
KDM4A O75164 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7064485 0.88 AGXT (0.44) HDAC3AGXTESR1ESR2MAOB
SCHEMBL3512251 0.80 KDM4A (0.54) AGXTNQO2MAOBKDM4ALOXL2
SCHEMBL1295500 0.76 EPHX2 (0.47) AGXTNQO2ESR1ESR2MAOB
SCHEMBL7328495 0.74 CTSK (0.50) HDAC3MEN1NPC1GAARAB9A
SCHEMBL7104950 0.74 RAB9A (0.42) AGXTMAOBKDM4ALOXL2MEN1
SCHEMBL8579944 0.74 PIN1 (0.60) PSMB5
SCHEMBL5986229 0.74 PPIA (0.45) AGXTMAOBKDM4ALOXL2MEN1
SCHEMBL2628545 0.74 PIN1 (0.60) PSMB5
SCHEMBL4499441 0.73 MTNR1A (0.53) ESR1ESR2MAOBLOXL2MEN1
SCHEMBL7106927 0.72 MAOB (0.43) MAOBMEN1NPC1GAARAB9A

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-20030153571-A1 Method and composition for the treatment of pain ASTRAZENECA AB (SE) 2003-08-14 US disclosed
EP-1244453-A1 METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001047524-A1 METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 WO 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-20030153571-A1 Method and composition for the treatment of pain OPRK1, ACHE, OPRL1 HDAC3 1426/4885AGXT 2663/4885NQO2 380/4885

“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.