SCHEMBL5563995

SCHEMBL5563995

CC(=O)N1CC(=O)N/C(=C/c2cccnc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HRH3 Q9Y5N1 1/20 0.48
MAPT P10636 9/20 0.47
RAB9A P51151 5/20 0.46
HTT P42858 5/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MITF O75030 3/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GSK3B P49841 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 3/20 0.40
ATM Q13315 2/20 0.40
NPC1 O15118 1/20 0.40
NSD2 O96028 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 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
SCHEMBL5563999 1.00 MEN1 (0.58) MEN1KMT2AHRH3MAPTRAB9A
SCHEMBL79547 0.84 MEN1 (0.66) MEN1KMT2AHRH3MAPTRAB9A
SCHEMBL1598877 0.84 MEN1 (0.66) MEN1KMT2AHRH3MAPTRAB9A
SCHEMBL7362683 0.84 MEN1 (0.66) MEN1KMT2AHRH3MAPTRAB9A
Dimethylamine SCHEMBL8623187 0.81 MEN1 (0.62) MEN1KMT2AHRH3MAPTRAB9A
SCHEMBL9435059 0.80 MEN1 (0.60) MEN1KMT2AHRH3MAPTRAB9A
SCHEMBL9015043 0.80 MEN1 (0.60) MEN1KMT2AHRH3MAPTRAB9A
SCHEMBL8491229 0.79 KMT2A (0.59) MEN1KMT2AHRH3RAB9AKDM4E
SCHEMBL6133031 0.76 MEN1 (0.56) MEN1KMT2AHRH3MAPTALDH1A1
SCHEMBL6133033 0.76 MEN1 (0.56) MEN1KMT2AHRH3MAPTALDH1A1

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 8 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
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 MEN1 4508/4885KMT2A 3291/4885HRH3 65/4885

“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.