SCHEMBL5557490

SCHEMBL5557490

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1CC=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
SIGMAR1 Q99720 7/20 0.42
HTR2A P28223 5/20 0.42
HTR2C P28335 5/20 0.42
HTR2B P41595 5/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PARP1 P09874 1/20 0.41
DRD2 P14416 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 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
SCHEMBL13705082 1.00 MEN1 (0.44) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL5557489 1.00 MEN1 (0.44) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL5557497 1.00 MEN1 (0.44) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL4710046 0.87 NR1H2 (0.46) NR1H2NR1H3SIGMAR1PARP1CA1
SCHEMBL8229985 0.87 NR1H2 (0.46) NR1H2NR1H3SIGMAR1PARP1CA1
SCHEMBL2014083 0.87 NR1H2 (0.46) NR1H2NR1H3SIGMAR1PARP1CA1
SCHEMBL29121503 0.86 NR1H2 (0.46) NR1H2NR1H3SIGMAR1PARP1CA1
SCHEMBL4286502 0.85 SMN1; SMN2 (0.48) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL4286507 0.85 SMN1; SMN2 (0.48) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL12780700 0.84 SIGMAR1 (0.52) ALDH1A1LMNANR1H2NR1H3SIGMAR1

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 5 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-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 4508/4885ALDH1A1 2465/4885LMNA 4557/4885

“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.