SCHEMBL5557293

SCHEMBL5557293

CC(=O)N1CC(=O)NC(Cc2cccc(Oc3ccccc3)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.45
FAAH O00519 1/20 0.43
CCR8 P51685 4/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
MGLL Q99685 1/20 0.41
OPRK1 P41145 4/20 0.41
MMP1 P03956 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL5557284 1.00 HDAC6 (0.45) HDAC6FAAHCCR8HDAC1HDAC8
SCHEMBL6132863 0.89 OPRK1 (0.44) HDAC6OPRK1KDM4EALDH1A1
SCHEMBL6133099 0.76 NPY1R (0.44) HDAC6HDAC1HDAC8
SCHEMBL4769381 0.74 P4HTM (0.42) HDAC6HDAC1HDAC8OPRK1KDM4E
SCHEMBL2085123 0.73 OPRK1 (0.67) HDAC6HDAC1HDAC8OPRK1MMP1
SCHEMBL5559197 0.73 HRH3 (0.46) HDAC8MGLLOPRK1MMP1
Acetic Acid SCHEMBL9020771 0.71 PLA2G10 (0.54) HDAC6HDAC1HDAC8GAA
SCHEMBL11259867 0.71 ALDH1A1 (0.45) MMP1KDM4EALDH1A1GAA
SCHEMBL5670141 0.69 HRH3 (0.49) OPRK1KDM4EALDH1A1KMT2A
SCHEMBL27469829 0.68 GHSR (0.57) HDAC6HDAC1HDAC8GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 HDAC6 577/4885FAAH 823/4885CCR8 1426/4885

“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.